data_1njq_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 1njq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.8 p . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 112.509 0.559 . . . . 99.989999999999995 112.509 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -118.78 143.93 46.61 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.412 -0.813 . . . . 99.989999999999995 112.31 172.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.675 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.4 m -127.76 139.34 52.73 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 113.106 -1.861 . . . . 99.989999999999995 110.052 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.6 t -76.87 128.94 35.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.228 -1.027 . . . . 99.989999999999995 108.228 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 p -82.66 23.68 0.78 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.35 1.241 . . . . 99.989999999999995 114.35 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.85 -54.56 1.83 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.702 1.201 . . . . 99.989999999999995 112.684 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -112.95 3.56 16.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.24 -1.022 . . . . 99.989999999999995 108.24 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.57 28.1 13.4 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 119.008 2.966 . . . . 99.989999999999995 119.008 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.675 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -62.68 154.35 29.59 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.007 1.114 . . . . 99.989999999999995 114.007 174.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.68 130.52 56.4 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.939 -1.028 . . . . 99.989999999999995 113.028 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.599 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -165.59 109.01 0.82 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 114.435 -1.257 . . . . 99.989999999999995 114.2 176.196 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 18.4 ptt-85 -64.03 -26.91 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.015 1.117 . . . . 99.989999999999995 114.015 168.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 p -89.48 124.18 34.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.776 1.274 . . . . 99.989999999999995 113.646 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.89 -34.0 58.17 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.429 -1.714 . . . . 99.989999999999995 114.262 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.96 -49.15 66.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.857 1.263 . . . . 99.989999999999995 112.107 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.77 61.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.469 -0.787 . . . . 99.989999999999995 112.695 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -58.05 8.95 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.226 1.011 . . . . 99.989999999999995 112.388 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.37 -53.47 42.93 Favored Glycine 0 N--CA 1.481 1.651 0 C-N-CA 123.77 0.7 . . . . 99.989999999999995 112.475 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -59.67 -29.75 67.65 Favored Glycine 0 CA--C 1.54 1.609 0 CA-C-N 114.286 -0.957 . . . . 99.989999999999995 113.604 175.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.4 t60 -73.05 -41.53 64.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.55 -0.537 . . . . 99.989999999999995 109.55 -172.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.42 72.63 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.948 0.721 . . . . 99.989999999999995 112.948 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 27.5 t-20 -58.28 -43.77 88.15 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.301 1.041 . . . . 99.989999999999995 112.583 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.06 -23.35 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.069 1.137 . . . . 99.989999999999995 114.069 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.445 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.581 -0.526 . . . . 99.989999999999995 109.581 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 114.839 1.422 . . . . 99.989999999999995 114.839 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 69.9 m-85 -117.02 146.8 42.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.987 -1.006 . . . . 99.989999999999995 113.617 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.7 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 26.8 m -137.39 142.01 41.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 113.246 -1.797 . . . . 99.989999999999995 111.213 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.8 t -82.22 129.91 34.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.31 -0.996 . . . . 99.989999999999995 108.31 178.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -83.07 23.47 0.86 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.475 1.287 . . . . 99.989999999999995 114.475 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -50.53 1.77 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.338 1.055 . . . . 99.989999999999995 113.394 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.52 5.74 13.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.308 -0.997 . . . . 99.989999999999995 108.308 -177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 40.57 22.09 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 116.584 2.068 . . . . 99.989999999999995 116.584 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.7 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.3 mmt180 -74.78 157.32 35.39 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.068 1.347 . . . . 99.989999999999995 113.532 176.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.51 131.71 53.48 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.607 0.966 . . . . 99.989999999999995 113.607 -177.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.67 101.66 0.32 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.866 1.666 . . . . 99.989999999999995 114.502 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.482 ' NH2' ' HB3' ' A' ' 17' ' ' SER . 0.0 OUTLIER -63.46 -23.44 67.4 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.656 -1.278 . . . . 99.989999999999995 114.181 171.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.482 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 35.5 p -84.57 123.48 30.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.082 1.353 . . . . 99.989999999999995 114.056 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.65 -34.73 52.94 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 113.762 -1.563 . . . . 99.989999999999995 114.427 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -52.35 -43.59 64.73 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.691 1.196 . . . . 99.989999999999995 113.99 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.12 5.95 50.42 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.895 1.072 . . . . 99.989999999999995 113.895 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 -57.93 2.0 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.823 0.849 . . . . 99.989999999999995 109.854 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.45 62.42 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.534 0.588 . . . . 99.989999999999995 112.202 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.45 -32.43 72.9 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 114.357 -0.922 . . . . 99.989999999999995 113.666 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.638 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -72.87 -41.14 65.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.633 -0.506 . . . . 99.989999999999995 109.633 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -33.44 70.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.34 -0.845 . . . . 99.989999999999995 112.899 174.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.03 -38.97 88.0 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.139 0.792 . . . . 99.989999999999995 113.139 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -63.31 -26.38 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 113.039 0.755 . . . . 99.989999999999995 113.039 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.45 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.128 0.571 . . . . 99.989999999999995 109.567 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 9.9 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 121.067 0.461 . . . . 99.989999999999995 111.534 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -114.97 152.7 31.93 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.2 1.0 . . . . 99.989999999999995 113.648 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.639 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.9 m -137.86 145.16 41.86 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 113.204 -1.816 . . . . 99.989999999999995 110.866 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.6 t -84.6 127.8 34.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.316 -0.994 . . . . 99.989999999999995 108.316 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -82.43 29.03 0.44 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.34 1.237 . . . . 99.989999999999995 114.34 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.96 -50.83 1.03 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.517 -1.22 . . . . 99.989999999999995 113.421 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.23 5.81 14.85 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.271 -1.011 . . . . 99.989999999999995 108.271 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.603 ' HZ3' HG21 ' A' ' 7' ' ' THR . 9.5 mmtt 55.01 28.32 10.55 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 117.787 2.514 . . . . 99.989999999999995 117.787 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.639 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -64.92 155.14 35.33 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.524 1.13 . . . . 99.989999999999995 113.747 175.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.16 133.35 55.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.217 -0.902 . . . . 99.989999999999995 112.842 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.28 109.04 0.36 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.111 1.364 . . . . 99.989999999999995 114.191 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.613 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 17.7 ptp180 -63.01 -28.98 70.48 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.149 1.166 . . . . 99.989999999999995 114.149 169.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 p -89.04 125.68 35.1 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.527 1.156 . . . . 99.989999999999995 114.01 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.65 44.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 113.542 -1.663 . . . . 99.989999999999995 115.029 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.15 -48.0 68.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.242 0.83 . . . . 99.989999999999995 113.242 174.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.56 -10.68 59.73 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.114 1.153 . . . . 99.989999999999995 114.114 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -59.4 2.2 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.442 1.097 . . . . 99.989999999999995 110.795 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.11 -51.2 57.25 Favored Glycine 0 N--CA 1.48 1.62 0 C-N-CA 123.766 0.698 . . . . 99.989999999999995 112.33 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -31.81 69.28 Favored Glycine 0 CA--C 1.539 1.572 0 CA-C-N 114.214 -0.993 . . . . 99.989999999999995 113.506 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.601 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.3 t60 -72.28 -41.88 66.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.606 -0.516 . . . . 99.989999999999995 109.606 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -32.48 72.66 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.716 0.635 . . . . 99.989999999999995 112.716 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.64 -42.45 88.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.754 0.822 . . . . 99.989999999999995 112.823 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.67 -23.4 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.267 1.21 . . . . 99.989999999999995 114.267 175.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.453 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.9 m-70 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.626 -0.509 . . . . 99.989999999999995 109.626 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 121.311 0.577 . . . . 99.989999999999995 112.209 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 67.4 m-85 -111.78 147.38 35.81 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.953 -1.021 . . . . 99.989999999999995 112.781 171.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.612 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 13.5 m -133.97 146.71 50.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 113.08 -1.873 . . . . 99.989999999999995 110.805 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.3 t -85.75 130.1 34.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.309 -0.997 . . . . 99.989999999999995 108.309 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 p -80.21 14.53 1.88 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.139 1.533 . . . . 99.989999999999995 115.139 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -50.75 2.66 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.667 0.988 . . . . 99.989999999999995 113.667 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 p -115.73 6.6 14.47 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.333 -0.988 . . . . 99.989999999999995 108.333 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.53 33.74 14.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.166 2.284 . . . . 99.989999999999995 117.166 -177.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.612 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -66.48 160.55 24.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.786 1.235 . . . . 99.989999999999995 113.932 176.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.33 131.31 53.04 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.109 0.781 . . . . 99.989999999999995 113.109 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.08 109.35 0.47 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.261 1.424 . . . . 99.989999999999995 114.56 178.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -61.39 -33.44 73.67 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.583 -0.698 . . . . 99.989999999999995 112.703 167.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 p -84.47 128.36 34.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.005 1.483 . . . . 99.989999999999995 115.005 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.2 -42.87 61.19 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 112.797 -2.002 . . . . 99.989999999999995 114.428 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -50.48 -43.14 55.41 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.271 1.211 . . . . 99.989999999999995 114.271 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.21 29.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.941 0.776 . . . . 99.989999999999995 112.433 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -61.54 2.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.828 0.851 . . . . 99.989999999999995 112.904 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.47 -51.25 57.53 Favored Glycine 0 N--CA 1.482 1.76 0 C-N-CA 123.715 0.674 . . . . 99.989999999999995 112.82 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.54 -28.64 67.94 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.349 -0.926 . . . . 99.989999999999995 113.656 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.613 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.683 -0.488 . . . . 99.989999999999995 109.683 -172.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -33.43 71.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.382 -0.826 . . . . 99.989999999999995 112.839 173.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -58.98 -41.86 88.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.952 0.901 . . . . 99.989999999999995 112.725 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 24' ' ' HIS . 2.2 p -63.38 -25.83 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.299 0.851 . . . . 99.989999999999995 113.299 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.607 -0.516 . . . . 99.989999999999995 109.607 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 13.7 p . . . . . 0 N--CA 1.472 0.671 0 CA-C-O 121.592 0.71 . . . . 99.989999999999995 111.767 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 59.3 m-85 -108.84 148.5 30.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.799 -1.091 . . . . 99.989999999999995 113.125 173.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.748 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 66.7 m -136.65 142.24 43.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.25 -1.795 . . . . 99.989999999999995 111.446 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.5 t -80.99 129.74 34.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.317 -0.994 . . . . 99.989999999999995 108.317 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -82.44 21.22 0.98 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.659 1.355 . . . . 99.989999999999995 114.659 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -50.14 2.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.346 1.058 . . . . 99.989999999999995 113.351 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -116.79 4.93 13.01 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.304 -0.999 . . . . 99.989999999999995 108.304 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.73 46.03 24.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.929 2.196 . . . . 99.989999999999995 116.929 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.748 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.1 mmt180 -82.35 154.3 25.34 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.249 -1.341 . . . . 99.989999999999995 113.638 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -115.91 134.63 54.78 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.913 1.079 . . . . 99.989999999999995 113.913 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.53 108.31 0.33 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.078 1.351 . . . . 99.989999999999995 113.898 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.561 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 2.9 mpt_? -61.05 -34.74 75.35 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.946 0.879 . . . . 99.989999999999995 111.701 168.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.434 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 29.7 p -83.58 122.44 28.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.453 1.501 . . . . 99.989999999999995 114.372 -173.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.37 -33.73 44.52 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.597 -1.638 . . . . 99.989999999999995 114.725 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 1.0 OUTLIER -55.7 -37.84 68.9 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.859 1.059 . . . . 99.989999999999995 113.859 175.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.33 -24.31 22.03 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.731 -1.122 . . . . 99.989999999999995 113.122 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -57.94 3.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.843 0.857 . . . . 99.989999999999995 112.431 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.77 52.84 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 123.711 0.672 . . . . 99.989999999999995 112.388 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -29.77 65.57 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 113.853 -1.173 . . . . 99.989999999999995 113.715 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.644 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.1 t60 -74.24 -40.74 62.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.65 -0.5 . . . . 99.989999999999995 109.65 -172.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -35.19 73.07 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.194 -0.912 . . . . 99.989999999999995 112.694 174.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.78 -39.41 80.99 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.049 0.759 . . . . 99.989999999999995 113.049 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.4 p -64.0 -25.5 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 112.925 0.713 . . . . 99.989999999999995 112.925 175.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 123.431 0.693 . . . . 99.989999999999995 109.521 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 p . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 111.542 0.201 . . . . 99.989999999999995 111.542 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -98.82 148.58 23.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 112.436 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.622 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 82.0 m -135.33 141.51 45.62 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.335 -1.757 . . . . 99.989999999999995 110.261 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.9 t -77.98 129.12 34.91 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.269 -1.011 . . . . 99.989999999999995 108.269 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 p -81.14 19.58 0.9 Allowed 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.862 1.43 . . . . 99.989999999999995 114.862 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -51.37 2.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.225 1.01 . . . . 99.989999999999995 113.706 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -115.48 4.43 14.26 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.301 -1.0 . . . . 99.989999999999995 108.301 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 56.07 26.94 10.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.55 2.426 . . . . 99.989999999999995 117.55 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.622 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -70.58 150.65 45.86 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.634 0.976 . . . . 99.989999999999995 113.634 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.95 136.18 54.22 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.835 1.05 . . . . 99.989999999999995 113.835 -173.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.33 117.8 0.75 Allowed 'General case' 0 N--CA 1.484 1.258 0 O-C-N 125.156 1.535 . . . . 99.989999999999995 113.39 -179.218 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.91 -39.65 93.85 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.615 0.722 . . . . 99.989999999999995 112.002 167.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -76.92 122.07 24.34 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.571 1.323 . . . . 99.989999999999995 114.571 -173.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.3 47.94 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 113.34 -1.755 . . . . 99.989999999999995 114.343 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -54.57 -47.16 73.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.178 0.991 . . . . 99.989999999999995 112.63 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.93 -45.1 62.34 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.775 -0.648 . . . . 99.989999999999995 112.179 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -59.47 4.81 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.256 1.022 . . . . 99.989999999999995 112.698 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -52.58 49.85 Favored Glycine 0 N--CA 1.48 1.619 0 C-N-CA 123.734 0.683 . . . . 99.989999999999995 112.439 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.45 64.97 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 114.199 -1.001 . . . . 99.989999999999995 113.656 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.623 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.3 t60 -74.59 -40.47 61.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.584 -0.524 . . . . 99.989999999999995 109.584 -173.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -34.52 73.68 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.743 -0.662 . . . . 99.989999999999995 112.542 174.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.66 -37.27 75.61 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.683 0.793 . . . . 99.989999999999995 113.062 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.51 -21.2 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 113.402 0.89 . . . . 99.989999999999995 113.402 174.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 . . . . . 0 N--CA 1.453 -0.319 0 C-N-CA 123.618 0.767 . . . . 99.989999999999995 109.653 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 114.067 1.136 . . . . 99.989999999999995 114.067 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -119.5 149.11 42.43 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 114.808 -1.087 . . . . 99.989999999999995 112.504 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.696 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 57.9 m -136.37 142.11 43.75 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 113.555 -1.657 . . . . 99.989999999999995 110.725 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.5 t -81.15 129.25 34.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.21 -1.033 . . . . 99.989999999999995 108.21 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -81.32 20.51 0.85 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.749 1.389 . . . . 99.989999999999995 114.749 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.2 -52.42 2.07 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.249 1.02 . . . . 99.989999999999995 113.321 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.9 p -114.91 7.89 15.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.277 -1.009 . . . . 99.989999999999995 108.277 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? 52.01 35.66 16.66 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.308 1.843 . . . . 99.989999999999995 115.689 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.696 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -75.14 153.99 37.95 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.669 0.988 . . . . 99.989999999999995 113.669 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.31 131.78 54.4 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.597 1.332 . . . . 99.989999999999995 114.597 -177.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.12 113.64 1.22 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.218 1.407 . . . . 99.989999999999995 113.886 -178.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.68 -25.7 66.68 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.035 1.124 . . . . 99.989999999999995 114.035 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -95.55 126.2 40.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.509 1.123 . . . . 99.989999999999995 113.635 -174.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.42 -34.69 58.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.721 -1.581 . . . . 99.989999999999995 114.394 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -54.62 -37.27 65.42 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.189 1.396 . . . . 99.989999999999995 112.731 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.56 5.21 46.08 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.214 1.19 . . . . 99.989999999999995 114.214 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.18 -58.19 1.94 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.901 0.88 . . . . 99.989999999999995 109.915 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.25 -51.44 55.96 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.489 0.566 . . . . 99.989999999999995 112.061 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.79 65.58 Favored Glycine 0 CA--C 1.54 1.648 0 CA-C-N 114.094 -1.053 . . . . 99.989999999999995 113.868 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.618 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.4 t60 -74.25 -40.06 62.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.536 -0.542 . . . . 99.989999999999995 109.536 -174.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -36.01 73.91 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.465 -0.789 . . . . 99.989999999999995 112.501 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.6 -38.39 74.83 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.438 0.695 . . . . 99.989999999999995 112.795 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -65.4 -20.95 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 113.397 0.888 . . . . 99.989999999999995 113.397 175.773 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.421 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 123.416 0.686 . . . . 99.989999999999995 109.617 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.9 p . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 112.994 0.738 . . . . 99.989999999999995 112.994 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -122.28 147.16 46.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.27 1.033 . . . . 99.989999999999995 111.792 170.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.583 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 95.0 m -128.51 144.81 51.21 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 112.868 -1.969 . . . . 99.989999999999995 108.931 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.8 t -82.6 131.22 35.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.366 -0.975 . . . . 99.989999999999995 108.366 173.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 p -80.73 14.06 2.31 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.038 1.496 . . . . 99.989999999999995 115.038 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.57 -49.1 2.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.9 1.074 . . . . 99.989999999999995 113.9 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -117.45 7.78 12.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.246 -1.02 . . . . 99.989999999999995 108.246 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 21.17 4.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 116.95 2.204 . . . . 99.989999999999995 116.95 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.583 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -61.22 152.52 28.65 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.607 1.163 . . . . 99.989999999999995 112.94 177.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.67 135.44 54.97 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.863 0.69 . . . . 99.989999999999995 112.863 -178.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.55 113.26 0.61 Allowed 'General case' 0 N--CA 1.483 1.213 0 O-C-N 125.308 1.63 . . . . 99.989999999999995 113.192 178.336 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 64.6 ttt-85 -67.75 -34.86 77.66 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.605 -0.684 . . . . 99.989999999999995 112.292 170.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.4 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 19.5 p -75.35 115.24 14.79 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.727 1.211 . . . . 99.989999999999995 113.783 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.86 -36.13 11.52 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.566 1.691 . . . . 99.989999999999995 115.566 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 0.7 OUTLIER -54.07 -46.94 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.069 1.136 . . . . 99.989999999999995 114.069 173.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.26 -26.81 60.44 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.9 -1.045 . . . . 99.989999999999995 113.324 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -61.1 1.92 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.776 1.231 . . . . 99.989999999999995 111.771 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.16 -51.81 51.52 Favored Glycine 0 N--CA 1.481 1.672 0 C-N-CA 124.036 0.826 . . . . 99.989999999999995 112.796 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -30.13 67.24 Favored Glycine 0 CA--C 1.54 1.643 0 CA-C-N 114.066 -1.067 . . . . 99.989999999999995 113.487 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.4 t60 -72.45 -42.07 65.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.677 -0.49 . . . . 99.989999999999995 109.677 -172.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -34.08 73.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.36 -0.836 . . . . 99.989999999999995 112.342 175.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.78 -39.69 81.79 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.147 0.795 . . . . 99.989999999999995 113.147 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -64.13 -25.9 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.514 0.931 . . . . 99.989999999999995 113.514 174.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 . . . . . 0 N--CA 1.451 -0.376 0 C-N-CA 123.814 0.846 . . . . 99.989999999999995 109.688 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 113.209 0.818 . . . . 99.989999999999995 113.209 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.1 m-85 -118.85 146.22 45.04 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.581 -1.19 . . . . 99.989999999999995 113.403 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.5 m -135.26 148.77 49.66 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 112.893 -1.958 . . . . 99.989999999999995 111.252 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -91.62 125.2 36.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.279 -1.008 . . . . 99.989999999999995 108.279 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -76.79 21.4 0.21 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.656 1.724 . . . . 99.989999999999995 115.656 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 -45.68 2.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.008 1.114 . . . . 99.989999999999995 114.008 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -122.48 8.83 9.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.398 -0.964 . . . . 99.989999999999995 108.398 -176.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.09 43.92 11.29 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 117.19 2.293 . . . . 99.989999999999995 117.19 -174.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.7 mmt180 -74.81 161.38 29.64 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.381 1.252 . . . . 99.989999999999995 114.381 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -124.72 132.23 53.4 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.279 0.844 . . . . 99.989999999999995 113.279 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -172.48 97.23 0.15 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 115.005 1.483 . . . . 99.989999999999995 115.005 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -57.68 -29.96 65.06 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.925 -1.11 . . . . 99.989999999999995 112.332 170.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -81.22 120.74 25.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.95 1.3 . . . . 99.989999999999995 114.249 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.73 -33.48 48.21 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.793 -1.549 . . . . 99.989999999999995 114.449 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -42.66 55.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.902 1.681 . . . . 99.989999999999995 112.361 174.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.61 -24.55 19.52 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 114.833 -1.076 . . . . 99.989999999999995 113.461 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -60.14 2.54 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.782 0.833 . . . . 99.989999999999995 112.123 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.56 -50.34 63.61 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 123.709 0.671 . . . . 99.989999999999995 112.716 -176.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -31.18 68.24 Favored Glycine 0 CA--C 1.54 1.61 0 CA-C-N 114.228 -0.986 . . . . 99.989999999999995 113.722 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.627 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.7 t60 -73.89 -38.94 64.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.566 -0.531 . . . . 99.989999999999995 109.566 -172.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -33.68 72.46 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.631 0.974 . . . . 99.989999999999995 113.631 173.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -58.08 -44.65 87.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.655 0.782 . . . . 99.989999999999995 112.2 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -60.25 -26.34 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.663 0.616 . . . . 99.989999999999995 112.663 176.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.656 -0.498 . . . . 99.989999999999995 109.656 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 60.8 p . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 113.765 1.024 . . . . 99.989999999999995 113.765 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 82.2 m-85 -107.5 147.98 29.8 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.029 -0.987 . . . . 99.989999999999995 112.41 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 51.8 m -134.22 144.39 48.4 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 113.484 -1.689 . . . . 99.989999999999995 110.625 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.4 t -85.34 126.54 33.82 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.398 -0.964 . . . . 99.989999999999995 108.398 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 p -81.05 24.97 0.48 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.333 1.234 . . . . 99.989999999999995 114.333 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.17 -51.08 1.66 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.633 1.173 . . . . 99.989999999999995 113.344 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -117.32 4.48 12.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.274 -1.01 . . . . 99.989999999999995 108.274 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.71 37.97 21.6 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 117.844 2.535 . . . . 99.989999999999995 117.844 -175.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.657 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.6 OUTLIER -69.97 156.93 38.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.229 1.411 . . . . 99.989999999999995 113.781 175.198 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -121.23 133.14 55.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.21 0.818 . . . . 99.989999999999995 113.21 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.71 105.39 0.35 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 114.78 1.4 . . . . 99.989999999999995 114.78 178.416 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 11.2 ptt180 -62.57 -27.12 68.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.001 1.111 . . . . 99.989999999999995 114.001 167.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -88.47 120.7 30.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.793 1.237 . . . . 99.989999999999995 113.314 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.87 28.73 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 113.953 -1.476 . . . . 99.989999999999995 114.778 176.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -54.76 -39.39 68.3 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.91 1.284 . . . . 99.989999999999995 113.422 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.82 3.8 53.4 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.076 1.139 . . . . 99.989999999999995 114.076 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.76 -60.68 1.48 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.165 0.986 . . . . 99.989999999999995 110.064 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.45 63.45 Favored Glycine 0 N--CA 1.483 1.786 0 C-N-CA 123.545 0.593 . . . . 99.989999999999995 112.054 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.34 -32.23 63.69 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 113.851 -1.175 . . . . 99.989999999999995 113.409 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.623 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.3 t60 -73.28 -44.72 58.73 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.579 -0.526 . . . . 99.989999999999995 109.579 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.09 69.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.071 0.767 . . . . 99.989999999999995 113.071 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.94 -38.46 82.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.393 0.886 . . . . 99.989999999999995 113.393 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.2 p -67.27 -16.7 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 114.034 1.124 . . . . 99.989999999999995 114.034 175.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 124.258 1.023 . . . . 99.989999999999995 109.555 174.354 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.591 0.234 . . . . 99.989999999999995 111.413 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.407 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 66.0 m-85 -119.2 151.76 37.8 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.174 0.921 . . . . 99.989999999999995 113.483 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.621 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 97.3 m -141.01 142.53 34.24 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.894 -1.503 . . . . 99.989999999999995 110.755 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 20.7 t -78.94 138.86 38.28 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.283 -1.006 . . . . 99.989999999999995 108.283 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -87.4 14.32 8.26 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 115.237 1.569 . . . . 99.989999999999995 115.237 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.67 -48.95 2.66 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.733 1.012 . . . . 99.989999999999995 113.733 177.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -114.96 -1.46 13.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.333 -0.988 . . . . 99.989999999999995 108.333 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 54.89 29.55 12.27 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.619 2.081 . . . . 99.989999999999995 116.619 -175.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.621 ' O ' ' HA ' ' A' ' 7' ' ' THR . 5.5 mtp85 -66.32 153.36 42.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.332 0.864 . . . . 99.989999999999995 113.332 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -121.53 131.1 53.95 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.443 0.905 . . . . 99.989999999999995 113.443 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -163.94 112.73 1.2 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 113.967 -1.47 . . . . 99.989999999999995 112.907 -177.193 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -46.99 88.05 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.676 -0.64 . . . . 99.989999999999995 111.319 168.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 p -68.63 116.42 9.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.756 1.222 . . . . 99.989999999999995 114.239 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.86 -35.56 6.5 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.138 1.533 . . . . 99.989999999999995 115.138 173.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.7 -42.54 71.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.151 0.98 . . . . 99.989999999999995 113.558 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.49 3.94 52.49 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.09 1.144 . . . . 99.989999999999995 114.09 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 -58.01 1.95 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.39 1.076 . . . . 99.989999999999995 109.736 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.98 59.2 Favored Glycine 0 N--CA 1.481 1.658 0 C-N-CA 123.651 0.643 . . . . 99.989999999999995 112.084 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -30.84 68.09 Favored Glycine 0 CA--C 1.54 1.627 0 CA-C-N 114.302 -0.949 . . . . 99.989999999999995 113.652 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.656 ' CE1' ' NE2' ' A' ' 28' ' ' HIS . 20.7 t60 -72.89 -41.22 64.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.627 -0.508 . . . . 99.989999999999995 109.627 -173.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.85 72.83 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.957 0.725 . . . . 99.989999999999995 112.957 174.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.52 -42.34 82.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.637 0.775 . . . . 99.989999999999995 112.739 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.9 p -62.76 -26.91 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.358 0.873 . . . . 99.989999999999995 113.358 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.656 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.649 -0.5 . . . . 99.989999999999995 109.649 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.519 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 1.7 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 113.264 0.839 . . . . 99.989999999999995 113.264 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 72.4 m-85 -112.0 148.78 33.07 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.254 -0.884 . . . . 99.989999999999995 112.99 173.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 86.8 m -136.27 141.36 43.88 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.259 -1.791 . . . . 99.989999999999995 109.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.0 t -80.75 124.82 29.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.264 -1.013 . . . . 99.989999999999995 108.264 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -75.22 27.55 0.1 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 115.716 1.747 . . . . 99.989999999999995 115.716 171.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.08 -50.27 0.95 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.28 0.845 . . . . 99.989999999999995 113.28 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.3 p -116.3 5.78 13.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.372 -0.973 . . . . 99.989999999999995 108.372 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.88 33.67 11.97 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.807 2.521 . . . . 99.989999999999995 117.807 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.636 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -74.23 152.76 39.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.236 1.014 . . . . 99.989999999999995 113.285 178.037 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.74 133.24 55.99 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.349 -0.842 . . . . 99.989999999999995 113.192 -173.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.98 104.99 0.23 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 125.102 1.501 . . . . 99.989999999999995 114.132 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 15.6 ptt180 -60.37 -29.68 69.08 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.8 1.037 . . . . 99.989999999999995 113.8 169.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.1 p -85.45 123.74 31.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.661 1.185 . . . . 99.989999999999995 113.876 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -35.65 34.74 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.603 -1.635 . . . . 99.989999999999995 114.565 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.45 -45.96 62.87 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.805 1.242 . . . . 99.989999999999995 113.235 174.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.63 -1.58 57.41 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.287 1.217 . . . . 99.989999999999995 114.287 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -58.55 2.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.888 0.875 . . . . 99.989999999999995 110.309 178.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.3 -51.9 53.12 Favored Glycine 0 N--CA 1.483 1.819 0 C-N-CA 123.628 0.633 . . . . 99.989999999999995 112.025 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.37 -30.03 64.12 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 113.899 -1.151 . . . . 99.989999999999995 113.817 173.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.0 t60 -74.17 -41.35 61.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.524 -0.547 . . . . 99.989999999999995 109.524 -174.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.65 -30.49 71.41 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.858 0.688 . . . . 99.989999999999995 112.858 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.71 -39.54 81.07 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.774 0.83 . . . . 99.989999999999995 112.649 172.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.44 -14.43 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 114.417 1.265 . . . . 99.989999999999995 114.417 175.163 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.3 m-70 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 123.473 0.709 . . . . 99.989999999999995 109.606 173.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 74.0 m . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 113.341 0.867 . . . . 99.989999999999995 113.341 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.15 147.38 36.25 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.9 -1.045 . . . . 99.989999999999995 111.876 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.658 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 3.1 m -131.94 145.68 51.64 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 112.799 -2.001 . . . . 99.989999999999995 111.34 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.89 123.39 31.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.245 -1.02 . . . . 99.989999999999995 108.245 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -77.09 32.42 0.14 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.034 1.494 . . . . 99.989999999999995 115.034 172.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.46 -50.38 0.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.178 -0.919 . . . . 99.989999999999995 112.902 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.7 p -118.48 10.02 12.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.33 -0.989 . . . . 99.989999999999995 108.33 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.02 43.19 25.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 118.964 -2.335 . . . . 99.989999999999995 115.491 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.658 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.97 159.33 24.92 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 114.97 -1.014 . . . . 99.989999999999995 113.107 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 133.12 52.17 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.291 0.849 . . . . 99.989999999999995 113.291 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.81 111.11 0.44 Allowed 'General case' 0 N--CA 1.486 1.331 0 O-C-N 125.005 1.441 . . . . 99.989999999999995 113.67 178.456 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 0.7 OUTLIER -64.83 -36.07 83.16 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 121.565 -0.709 . . . . 99.989999999999995 112.024 169.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 p -77.91 125.39 29.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.08 1.352 . . . . 99.989999999999995 114.531 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.78 60.72 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 113.613 -1.63 . . . . 99.989999999999995 114.484 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -53.78 -45.18 70.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.292 1.437 . . . . 99.989999999999995 112.371 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.34 -11.11 55.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.067 1.136 . . . . 99.989999999999995 114.067 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -59.22 2.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.164 0.986 . . . . 99.989999999999995 110.854 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.44 61.11 Favored Glycine 0 N--CA 1.48 1.613 0 C-N-CA 123.754 0.692 . . . . 99.989999999999995 112.433 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.65 -31.41 71.06 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-N 114.073 -1.063 . . . . 99.989999999999995 113.593 173.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.602 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.2 t60 -73.55 -40.42 63.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.559 -0.534 . . . . 99.989999999999995 109.559 -173.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -28.16 69.39 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.04 1.496 . . . . 99.989999999999995 115.04 173.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -61.46 -44.18 97.56 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 124.189 0.93 . . . . 99.989999999999995 111.955 173.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.6 p -64.14 -23.0 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.442 1.275 . . . . 99.989999999999995 114.442 176.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.406 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.612 -0.514 . . . . 99.989999999999995 109.612 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 41.7 m . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 121.15 0.5 . . . . 99.989999999999995 112.107 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -95.0 149.0 21.73 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.521 -1.218 . . . . 99.989999999999995 112.045 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.598 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 4.9 m -130.24 149.04 52.11 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 113.154 -1.839 . . . . 99.989999999999995 110.901 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -89.74 124.26 34.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.23 -1.026 . . . . 99.989999999999995 108.23 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -77.74 27.42 0.17 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 115.19 1.552 . . . . 99.989999999999995 115.19 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -49.7 1.39 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.923 0.889 . . . . 99.989999999999995 113.272 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.29 8.38 12.24 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.34 -0.985 . . . . 99.989999999999995 108.34 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? 54.04 28.18 8.46 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.576 2.065 . . . . 99.989999999999995 116.576 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.598 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.9 mmt180 -64.05 159.37 20.35 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.295 1.22 . . . . 99.989999999999995 114.295 176.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.84 133.14 49.37 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.598 -0.728 . . . . 99.989999999999995 112.863 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.08 106.93 0.51 Allowed 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.345 1.653 . . . . 99.989999999999995 113.781 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.642 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 36.2 ptt85 -63.88 -24.85 67.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.372 1.249 . . . . 99.989999999999995 114.372 171.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 p -93.34 125.05 37.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 122.581 1.181 . . . . 99.989999999999995 113.541 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.58 46.42 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.586 -1.643 . . . . 99.989999999999995 115.417 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -55.42 -41.27 72.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.874 0.87 . . . . 99.989999999999995 113.13 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.39 -2.22 58.48 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.405 1.261 . . . . 99.989999999999995 114.405 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -58.85 1.89 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.275 1.03 . . . . 99.989999999999995 110.085 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.21 62.79 Favored Glycine 0 N--CA 1.484 1.844 0 C-N-CA 123.579 0.609 . . . . 99.989999999999995 112.203 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.91 -30.0 68.88 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 114.344 -0.928 . . . . 99.989999999999995 113.723 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.6 t60 -74.84 -38.02 62.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.607 -0.516 . . . . 99.989999999999995 109.607 -173.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -34.01 72.67 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.359 0.874 . . . . 99.989999999999995 113.359 171.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.892 0.877 . . . . 99.989999999999995 113.078 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.9 OUTLIER -68.45 -24.43 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 113.371 0.878 . . . . 99.989999999999995 113.371 172.135 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.7 -0.482 . . . . 99.989999999999995 109.7 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 56.7 p . . . . . 0 N--CA 1.486 1.374 0 N-CA-C 113.405 0.891 . . . . 99.989999999999995 113.405 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -112.07 152.03 28.69 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 122.232 1.015 . . . . 99.989999999999995 112.889 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.593 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.1 m -133.48 152.04 51.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.629 -2.078 . . . . 99.989999999999995 109.559 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 44.2 t -91.21 130.26 37.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.247 -1.02 . . . . 99.989999999999995 108.247 172.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -84.58 23.46 1.14 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.302 1.223 . . . . 99.989999999999995 114.302 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.94 -48.21 1.89 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.795 -1.093 . . . . 99.989999999999995 113.051 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.0 p -119.51 6.87 11.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.257 -1.016 . . . . 99.989999999999995 108.257 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.06 36.32 8.5 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 117.318 2.34 . . . . 99.989999999999995 117.318 -176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 7' ' ' THR . 11.1 ttt180 -74.99 159.37 31.87 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.655 0.782 . . . . 99.989999999999995 112.354 177.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.75 135.3 54.94 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.938 0.895 . . . . 99.989999999999995 113.311 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -171.44 109.88 0.29 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.447 1.499 . . . . 99.989999999999995 114.396 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 21.1 ptt-85 -65.97 -30.51 71.08 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.0 1.111 . . . . 99.989999999999995 114.0 168.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 p -79.4 118.33 21.19 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.582 1.182 . . . . 99.989999999999995 113.646 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -33.4 37.48 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.775 -1.557 . . . . 99.989999999999995 114.087 173.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -47.86 62.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.511 1.525 . . . . 99.989999999999995 111.739 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -43.9 39.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 99.989999999999995 112.63 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -58.13 9.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.441 1.097 . . . . 99.989999999999995 112.733 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.63 -53.74 41.51 Favored Glycine 0 N--CA 1.482 1.753 0 C-N-CA 123.606 0.622 . . . . 99.989999999999995 112.367 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -28.99 64.67 Favored Glycine 0 CA--C 1.54 1.603 0 CA-C-N 114.049 -1.076 . . . . 99.989999999999995 113.761 175.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.619 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -72.7 -40.21 66.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.633 -0.506 . . . . 99.989999999999995 109.633 -173.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.23 -28.95 70.09 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.427 0.899 . . . . 99.989999999999995 113.427 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -59.69 -40.95 89.57 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.82 0.848 . . . . 99.989999999999995 112.529 171.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.98 -16.27 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 113.896 1.072 . . . . 99.989999999999995 113.896 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.696 -0.483 . . . . 99.989999999999995 109.696 172.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 5.1 m . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 112.478 0.547 . . . . 99.989999999999995 112.478 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 70.9 m-85 -118.93 145.99 45.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 114.31 -1.313 . . . . 99.989999999999995 112.071 171.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.589 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 91.4 m -132.84 146.76 52.1 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 113.625 -1.625 . . . . 99.989999999999995 110.588 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.0 t -84.84 129.48 34.81 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.326 -0.99 . . . . 99.989999999999995 108.326 176.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -80.93 19.1 0.9 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.799 1.407 . . . . 99.989999999999995 114.799 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.16 -49.53 2.06 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.162 0.985 . . . . 99.989999999999995 113.576 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.8 p -116.8 4.9 13.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.303 -0.999 . . . . 99.989999999999995 108.303 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 8' ' ' CYS 0.255 0.5 OUTLIER 49.79 32.97 5.76 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.201 2.667 . . . . 99.989999999999995 118.201 -175.649 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.589 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.5 mmt180 -65.71 155.1 37.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.299 1.44 . . . . 99.989999999999995 113.141 173.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.42 132.66 54.47 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 115.629 -0.714 . . . . 99.989999999999995 112.904 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.61 103.28 0.42 Allowed 'General case' 0 N--CA 1.486 1.346 0 O-C-N 125.418 1.699 . . . . 99.989999999999995 114.554 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 28.2 ptt180 -60.94 -26.82 67.77 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 115.083 1.512 . . . . 99.989999999999995 115.083 168.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -88.11 128.02 35.42 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.395 1.093 . . . . 99.989999999999995 113.945 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -39.18 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.609 -1.632 . . . . 99.989999999999995 114.884 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -52.04 -47.95 64.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.904 1.281 . . . . 99.989999999999995 112.726 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.71 -14.72 58.55 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.177 1.177 . . . . 99.989999999999995 114.177 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -60.87 1.88 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.499 1.12 . . . . 99.989999999999995 111.013 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.87 -50.97 58.36 Favored Glycine 0 N--CA 1.482 1.708 0 C-N-CA 123.805 0.717 . . . . 99.989999999999995 112.508 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.07 66.43 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-N 114.031 -1.085 . . . . 99.989999999999995 113.527 174.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -73.89 -41.51 62.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.594 -0.521 . . . . 99.989999999999995 109.594 -173.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.86 73.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.494 -0.776 . . . . 99.989999999999995 112.875 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -57.97 -37.09 73.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.325 0.861 . . . . 99.989999999999995 113.325 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.5 p -67.58 -25.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.392 0.886 . . . . 99.989999999999995 113.392 175.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 123.96 0.904 . . . . 99.989999999999995 109.541 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 75.5 m . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 114.183 1.179 . . . . 99.989999999999995 114.183 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -122.14 148.31 45.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.993 -1.003 . . . . 99.989999999999995 113.156 170.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 54.8 m -133.28 145.22 50.28 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.202 -1.817 . . . . 99.989999999999995 110.189 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.3 t -82.79 130.16 35.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 99.989999999999995 108.274 175.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p -83.26 22.17 1.04 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.528 1.307 . . . . 99.989999999999995 114.528 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.02 -49.58 1.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.255 1.022 . . . . 99.989999999999995 113.577 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.0 p -117.13 6.13 12.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.279 -1.008 . . . . 99.989999999999995 108.279 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? 55.63 23.95 6.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 116.59 2.07 . . . . 99.989999999999995 116.59 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.623 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -66.4 154.35 40.36 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.155 0.982 . . . . 99.989999999999995 113.432 178.317 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.56 135.93 54.94 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.671 0.989 . . . . 99.989999999999995 113.671 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.68 110.14 0.36 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.788 1.635 . . . . 99.989999999999995 113.462 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 63.9 ttt180 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.317 -0.865 . . . . 99.989999999999995 112.801 169.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.7 p -79.2 125.45 29.47 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.61 1.337 . . . . 99.989999999999995 114.61 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.57 -40.67 65.81 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.376 -1.738 . . . . 99.989999999999995 114.336 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.09 -53.65 6.2 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.768 1.025 . . . . 99.989999999999995 113.768 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.65 -45.65 64.73 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.275 -0.875 . . . . 99.989999999999995 112.215 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -58.95 5.56 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.131 0.972 . . . . 99.989999999999995 112.448 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.78 -54.22 38.18 Favored Glycine 0 N--CA 1.481 1.692 0 C-N-CA 123.622 0.629 . . . . 99.989999999999995 112.348 -176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.46 -28.97 65.64 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 114.018 -1.091 . . . . 99.989999999999995 113.589 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.636 ' O ' HG12 ' A' ' 27' ' ' VAL . 37.6 t60 -72.36 -43.22 64.33 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.564 -0.532 . . . . 99.989999999999995 109.564 -173.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 tpt -65.15 -28.22 69.26 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.498 0.925 . . . . 99.989999999999995 113.498 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.84 -39.12 84.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.087 0.955 . . . . 99.989999999999995 113.152 170.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.1 p -66.76 -22.61 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 113.738 1.014 . . . . 99.989999999999995 113.738 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.457 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.7 m-70 . . . . . 0 N--CA 1.453 -0.321 0 C-N-CA 123.717 0.807 . . . . 99.989999999999995 109.6 173.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 112.318 0.488 . . . . 99.989999999999995 112.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 68.4 m-85 -111.01 146.6 36.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.062 -0.972 . . . . 99.989999999999995 112.783 170.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.678 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 36.7 m -137.64 143.33 41.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.599 -1.637 . . . . 99.989999999999995 111.272 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.4 t -82.5 129.94 35.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.325 -0.991 . . . . 99.989999999999995 108.325 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.2 p -82.14 19.82 1.12 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.802 1.408 . . . . 99.989999999999995 114.802 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.29 -50.47 2.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.278 1.031 . . . . 99.989999999999995 113.393 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -117.28 4.6 12.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.274 -1.01 . . . . 99.989999999999995 108.274 -176.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.53 38.25 21.75 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 117.957 2.577 . . . . 99.989999999999995 117.957 -175.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.678 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -70.49 155.86 40.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.141 1.376 . . . . 99.989999999999995 113.304 175.78 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.86 128.58 49.7 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.486 0.921 . . . . 99.989999999999995 113.486 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.35 105.82 0.88 Allowed 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 123.289 1.518 . . . . 99.989999999999995 114.821 -179.184 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -60.26 -25.6 65.81 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.376 -1.283 . . . . 99.989999999999995 113.509 168.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.528 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 59.2 p -100.09 126.49 46.33 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.481 1.112 . . . . 99.989999999999995 113.874 -173.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.54 -34.53 58.53 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 113.728 -1.578 . . . . 99.989999999999995 114.829 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.528 ' HG2' ' HB2' ' A' ' 17' ' ' SER . 9.4 pt20 -51.7 -40.38 60.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.833 1.253 . . . . 99.989999999999995 113.707 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.56 9.35 42.64 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.837 1.051 . . . . 99.989999999999995 113.837 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.55 -59.0 1.78 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.946 0.898 . . . . 99.989999999999995 109.427 177.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.35 57.54 Favored Glycine 0 N--CA 1.481 1.681 0 C-N-CA 123.418 0.532 . . . . 99.989999999999995 111.87 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.53 66.44 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.988 -1.106 . . . . 99.989999999999995 113.705 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.615 ' O ' HG12 ' A' ' 27' ' ' VAL . 38.5 t60 -73.18 -40.99 64.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.611 -0.514 . . . . 99.989999999999995 109.611 -174.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.33 -30.93 71.51 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.927 0.714 . . . . 99.989999999999995 112.927 175.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -60.07 -36.59 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.54 0.736 . . . . 99.989999999999995 112.908 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -68.88 -14.56 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 N-CA-C 114.071 1.137 . . . . 99.989999999999995 114.071 174.226 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 . . . . . 0 N--CA 1.453 -0.302 0 C-N-CA 123.421 0.688 . . . . 99.989999999999995 109.571 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 115.331 1.604 . . . . 99.989999999999995 115.331 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -101.27 145.83 28.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 113.885 -1.507 . . . . 99.989999999999995 111.43 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 96.9 m -132.23 145.4 51.3 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.193 -1.821 . . . . 99.989999999999995 109.607 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 42.0 t -83.75 135.94 34.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.311 -0.996 . . . . 99.989999999999995 108.311 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -82.57 7.39 14.7 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.327 1.602 . . . . 99.989999999999995 115.327 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.22 -42.83 4.06 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.989 1.477 . . . . 99.989999999999995 114.989 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -123.96 2.95 8.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.302 -0.999 . . . . 99.989999999999995 108.302 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 52.19 31.45 9.15 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 118.412 2.745 . . . . 99.989999999999995 118.412 -174.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mmt-85 -63.62 150.8 43.32 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.672 0.99 . . . . 99.989999999999995 113.672 172.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -118.67 135.23 54.58 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.267 -0.879 . . . . 99.989999999999995 112.439 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -163.17 127.11 2.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.815 1.322 . . . . 99.989999999999995 113.746 178.038 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.6 ttt-85 -97.53 61.2 1.63 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.386 1.089 . . . . 99.989999999999995 110.946 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -168.89 138.74 2.27 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 114.423 -1.262 . . . . 99.989999999999995 112.661 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.36 74.86 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.719 -1.582 . . . . 99.989999999999995 113.048 173.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -58.62 -53.33 59.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.405 1.082 . . . . 99.989999999999995 111.882 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.84 87.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.768 0.655 . . . . 99.989999999999995 112.768 175.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -57.86 10.28 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.333 1.053 . . . . 99.989999999999995 112.372 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -52.23 52.14 Favored Glycine 0 N--CA 1.48 1.626 0 C-N-CA 124.005 0.812 . . . . 99.989999999999995 112.47 -176.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.04 -28.87 67.01 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 114.285 -0.957 . . . . 99.989999999999995 113.418 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.589 ' O ' HG12 ' A' ' 27' ' ' VAL . 54.5 t60 -74.99 -42.17 58.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.624 -0.51 . . . . 99.989999999999995 109.624 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -32.59 72.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.538 -0.755 . . . . 99.989999999999995 112.493 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -55.72 -46.04 77.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 117.839 -1.076 . . . . 99.989999999999995 111.995 173.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -63.52 -22.43 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 N-CA-C 115.017 1.488 . . . . 99.989999999999995 115.017 178.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.52 -0.548 . . . . 99.989999999999995 109.52 172.006 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 113.593 0.96 . . . . 99.989999999999995 113.593 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 93.6 m-85 -99.01 152.17 20.11 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.182 1.178 . . . . 99.989999999999995 114.182 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.1 m -137.39 151.93 49.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 113.515 -1.675 . . . . 99.989999999999995 111.318 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -92.43 128.73 38.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.418 -0.956 . . . . 99.989999999999995 108.418 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p -80.9 17.67 1.15 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.897 1.443 . . . . 99.989999999999995 114.897 174.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -42.99 2.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 99.989999999999995 114.821 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -126.13 9.75 7.43 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.314 -0.995 . . . . 99.989999999999995 108.314 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.79 28.71 3.8 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.45 2.759 . . . . 99.989999999999995 118.45 -176.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -64.08 158.29 23.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.973 1.309 . . . . 99.989999999999995 113.731 176.414 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.4 134.4 49.91 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.252 1.204 . . . . 99.989999999999995 114.252 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -167.49 109.53 0.63 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.633 1.573 . . . . 99.989999999999995 114.267 -178.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.52 75.2 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.288 -0.869 . . . . 99.989999999999995 113.133 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.7 p -83.4 122.96 29.18 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.777 1.275 . . . . 99.989999999999995 114.008 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.63 -36.18 56.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.109 -1.86 . . . . 99.989999999999995 114.839 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.21 -49.28 72.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.282 0.633 . . . . 99.989999999999995 112.472 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.22 74.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.35 -0.841 . . . . 99.989999999999995 111.926 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -57.91 10.25 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.012 0.925 . . . . 99.989999999999995 112.305 179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.1 -53.29 43.57 Favored Glycine 0 N--CA 1.481 1.69 0 C-N-CA 123.71 0.671 . . . . 99.989999999999995 112.295 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.3 67.94 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-N 114.295 -0.953 . . . . 99.989999999999995 113.67 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.627 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.8 t60 -73.48 -41.38 63.21 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 99.989999999999995 109.56 -172.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 tpt -63.01 -29.88 71.17 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.02 0.748 . . . . 99.989999999999995 113.02 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.2 -39.36 86.29 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.862 0.865 . . . . 99.989999999999995 112.631 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -67.81 -11.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.08 1.141 . . . . 99.989999999999995 114.08 174.572 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 123.576 0.751 . . . . 99.989999999999995 109.585 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.469 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -120.08 145.41 39.89 Favored Pre-proline 0 N--CA 1.482 1.172 1 C-N-CA 109.564 -4.854 . . . . 99.989999999999995 113.267 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -66.79 155.96 68.19 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.798 2.332 . . . . 0.0 112.07 172.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -67.15 -170.94 0.26 Allowed 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.793 2.329 . . . . 0.0 112.051 171.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 60.98 83.75 0.14 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.801 1.64 . . . . 99.989999999999995 113.315 -171.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.8 p 55.52 162.49 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 111.858 -2.428 . . . . 99.989999999999995 112.509 -169.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -118.78 143.93 46.61 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.412 -0.813 . . . . 99.989999999999995 112.31 172.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.675 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.4 m -127.76 139.34 52.73 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 113.106 -1.861 . . . . 99.989999999999995 110.052 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.6 t -76.87 128.94 35.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.228 -1.027 . . . . 99.989999999999995 108.228 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 p -82.66 23.68 0.78 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.35 1.241 . . . . 99.989999999999995 114.35 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.85 -54.56 1.83 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.702 1.201 . . . . 99.989999999999995 112.684 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -112.95 3.56 16.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.24 -1.022 . . . . 99.989999999999995 108.24 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.57 28.1 13.4 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 119.008 2.966 . . . . 99.989999999999995 119.008 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.675 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -62.68 154.35 29.59 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.007 1.114 . . . . 99.989999999999995 114.007 174.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.68 130.52 56.4 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.939 -1.028 . . . . 99.989999999999995 113.028 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.599 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -165.59 109.01 0.82 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 114.435 -1.257 . . . . 99.989999999999995 114.2 176.196 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 18.4 ptt-85 -64.03 -26.91 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.015 1.117 . . . . 99.989999999999995 114.015 168.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 p -89.48 124.18 34.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.776 1.274 . . . . 99.989999999999995 113.646 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.89 -34.0 58.17 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.429 -1.714 . . . . 99.989999999999995 114.262 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.96 -49.15 66.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.857 1.263 . . . . 99.989999999999995 112.107 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.77 61.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.469 -0.787 . . . . 99.989999999999995 112.695 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -58.05 8.95 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.226 1.011 . . . . 99.989999999999995 112.388 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.37 -53.47 42.93 Favored Glycine 0 N--CA 1.481 1.651 0 C-N-CA 123.77 0.7 . . . . 99.989999999999995 112.475 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -59.67 -29.75 67.65 Favored Glycine 0 CA--C 1.54 1.609 0 CA-C-N 114.286 -0.957 . . . . 99.989999999999995 113.604 175.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.4 t60 -73.05 -41.53 64.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.55 -0.537 . . . . 99.989999999999995 109.55 -172.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.42 72.63 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.948 0.721 . . . . 99.989999999999995 112.948 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 27.5 t-20 -58.28 -43.77 88.15 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.301 1.041 . . . . 99.989999999999995 112.583 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.06 -23.35 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.069 1.137 . . . . 99.989999999999995 114.069 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.445 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 -81.51 -79.84 0.16 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.581 -0.526 . . . . 99.989999999999995 109.581 172.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 45.26 32.18 0.94 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 117.267 2.321 . . . . 99.989999999999995 117.267 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -105.41 117.54 34.27 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.366 0.876 . . . . 99.989999999999995 113.366 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 55.68 179.81 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 114.144 -1.389 . . . . 99.989999999999995 112.949 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.41 -51.39 0.43 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 116.553 2.057 . . . . 99.989999999999995 116.553 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 29.89 87.22 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.9 2.48 . . . . 99.989999999999995 114.359 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 71.28 -38.49 0.42 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.787 2.035 . . . . 99.989999999999995 113.87 -173.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tt 66.72 -47.23 0.45 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 128.543 2.737 . . . . 99.989999999999995 113.563 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -157.84 -44.74 0.06 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.891 1.677 . . . . 99.989999999999995 112.297 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -156.51 149.71 24.24 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-O 116.857 -1.544 . . . . 99.989999999999995 113.303 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.924 0 CA-C-N 121.663 2.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 1.382 ' O ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.239 0.505 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 1.382 ' CD1' ' O ' ' A' ' 0' ' ' ACE . 67.6 p-90 159.02 139.91 0.0 OUTLIER Pre-proline 0 N--CA 1.479 1.019 1 C-N-CA 109.568 -4.853 . . . . 99.989999999999995 115.2 . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -67.58 145.12 69.17 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.854 2.369 . . . . 0.0 113.182 -177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -61.73 -22.72 75.03 Favored 'Trans proline' 0 N--CA 1.482 0.8 0 C-N-CA 123.301 2.667 . . . . 0.0 114.474 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.56 132.15 55.68 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.447 1.099 . . . . 99.989999999999995 110.162 173.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m 60.63 147.68 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.015 1.726 . . . . 99.989999999999995 114.839 -176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 69.9 m-85 -117.02 146.8 42.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.987 -1.006 . . . . 99.989999999999995 113.617 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.7 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 26.8 m -137.39 142.01 41.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 113.246 -1.797 . . . . 99.989999999999995 111.213 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.8 t -82.22 129.91 34.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.31 -0.996 . . . . 99.989999999999995 108.31 178.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -83.07 23.47 0.86 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.475 1.287 . . . . 99.989999999999995 114.475 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -50.53 1.77 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.338 1.055 . . . . 99.989999999999995 113.394 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.52 5.74 13.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.308 -0.997 . . . . 99.989999999999995 108.308 -177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 40.57 22.09 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 116.584 2.068 . . . . 99.989999999999995 116.584 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.7 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.3 mmt180 -74.78 157.32 35.39 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.068 1.347 . . . . 99.989999999999995 113.532 176.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.51 131.71 53.48 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.607 0.966 . . . . 99.989999999999995 113.607 -177.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.67 101.66 0.32 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.866 1.666 . . . . 99.989999999999995 114.502 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' NH2' ' HB3' ' A' ' 17' ' ' SER . 0.0 OUTLIER -63.46 -23.44 67.4 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.656 -1.278 . . . . 99.989999999999995 114.181 171.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.482 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 35.5 p -84.57 123.48 30.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.082 1.353 . . . . 99.989999999999995 114.056 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.65 -34.73 52.94 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 113.762 -1.563 . . . . 99.989999999999995 114.427 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -52.35 -43.59 64.73 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.691 1.196 . . . . 99.989999999999995 113.99 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.12 5.95 50.42 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.895 1.072 . . . . 99.989999999999995 113.895 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 -57.93 2.0 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.823 0.849 . . . . 99.989999999999995 109.854 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.45 62.42 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.534 0.588 . . . . 99.989999999999995 112.202 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.45 -32.43 72.9 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 114.357 -0.922 . . . . 99.989999999999995 113.666 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.638 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -72.87 -41.14 65.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.633 -0.506 . . . . 99.989999999999995 109.633 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -33.44 70.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.34 -0.845 . . . . 99.989999999999995 112.899 174.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.03 -38.97 88.0 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.139 0.792 . . . . 99.989999999999995 113.139 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -63.31 -26.38 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 113.039 0.755 . . . . 99.989999999999995 113.039 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.45 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 -82.98 48.38 1.35 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.128 0.571 . . . . 99.989999999999995 109.567 177.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -171.73 92.16 0.14 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 127.218 2.207 . . . . 99.989999999999995 113.33 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -97.95 83.37 3.13 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 114.679 -1.146 . . . . 99.989999999999995 109.334 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -162.14 152.63 17.18 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 113.246 -1.797 . . . . 99.989999999999995 110.374 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 68.63 -78.01 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.12 1.768 . . . . 99.989999999999995 112.421 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.39 -90.5 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.726 1.61 . . . . 99.989999999999995 109.937 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -167.24 113.2 0.75 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.293 1.437 . . . . 99.989999999999995 107.424 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 64.87 162.06 0.13 Allowed 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 113.894 -1.503 . . . . 99.989999999999995 113.76 -172.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -65.96 144.81 56.53 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 114.401 -1.272 . . . . 99.989999999999995 111.609 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.1 tp -68.32 -38.12 81.26 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 117.177 -1.392 . . . . 99.989999999999995 113.246 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 121.487 1.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.482 ' O ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.238 0.467 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.434 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 2.7 p-90 -54.96 106.31 0.65 Allowed Pre-proline 0 CA--C 1.554 1.099 1 C-N-CA 109.512 -4.875 . . . . 99.989999999999995 114.614 . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 0' ' ' ACE . 72.7 Cg_endo -69.25 151.84 71.98 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.726 2.284 . . . . 0.0 111.577 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -57.64 -15.8 22.0 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.161 2.574 . . . . 0.0 116.138 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -108.65 29.27 7.58 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.638 1.347 . . . . 99.989999999999995 114.638 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 9.9 t -170.28 150.88 3.69 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.19 0.996 . . . . 99.989999999999995 111.534 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -114.97 152.7 31.93 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.2 1.0 . . . . 99.989999999999995 113.648 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.639 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.9 m -137.86 145.16 41.86 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 113.204 -1.816 . . . . 99.989999999999995 110.866 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.6 t -84.6 127.8 34.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.316 -0.994 . . . . 99.989999999999995 108.316 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -82.43 29.03 0.44 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.34 1.237 . . . . 99.989999999999995 114.34 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.96 -50.83 1.03 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.517 -1.22 . . . . 99.989999999999995 113.421 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.23 5.81 14.85 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.271 -1.011 . . . . 99.989999999999995 108.271 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.603 ' HZ3' HG21 ' A' ' 7' ' ' THR . 9.5 mmtt 55.01 28.32 10.55 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 117.787 2.514 . . . . 99.989999999999995 117.787 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.639 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -64.92 155.14 35.33 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.524 1.13 . . . . 99.989999999999995 113.747 175.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.16 133.35 55.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.217 -0.902 . . . . 99.989999999999995 112.842 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.28 109.04 0.36 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.111 1.364 . . . . 99.989999999999995 114.191 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.613 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 17.7 ptp180 -63.01 -28.98 70.48 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.149 1.166 . . . . 99.989999999999995 114.149 169.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 p -89.04 125.68 35.1 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.527 1.156 . . . . 99.989999999999995 114.01 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.65 44.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 113.542 -1.663 . . . . 99.989999999999995 115.029 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.15 -48.0 68.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.242 0.83 . . . . 99.989999999999995 113.242 174.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.56 -10.68 59.73 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.114 1.153 . . . . 99.989999999999995 114.114 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -59.4 2.2 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.442 1.097 . . . . 99.989999999999995 110.795 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.11 -51.2 57.25 Favored Glycine 0 N--CA 1.48 1.62 0 C-N-CA 123.766 0.698 . . . . 99.989999999999995 112.33 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -31.81 69.28 Favored Glycine 0 CA--C 1.539 1.572 0 CA-C-N 114.214 -0.993 . . . . 99.989999999999995 113.506 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.601 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.3 t60 -72.28 -41.88 66.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.606 -0.516 . . . . 99.989999999999995 109.606 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -32.48 72.66 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.716 0.635 . . . . 99.989999999999995 112.716 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.64 -42.45 88.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.754 0.822 . . . . 99.989999999999995 112.823 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.67 -23.4 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.267 1.21 . . . . 99.989999999999995 114.267 175.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.453 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.9 m-70 -81.03 -83.67 0.11 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.626 -0.509 . . . . 99.989999999999995 109.626 172.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 160.01 103.45 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 128.157 2.583 . . . . 99.989999999999995 110.473 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.76 136.26 50.7 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.177 -1.374 . . . . 99.989999999999995 111.759 174.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -64.7 135.72 56.18 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 114.657 -1.156 . . . . 99.989999999999995 111.25 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.85 100.25 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 O-C-N 125.513 1.758 . . . . 99.989999999999995 112.689 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.8 137.54 51.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 113.75 -1.568 . . . . 99.989999999999995 109.677 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 36' ' ' ARG . 5.4 ttt-85 -167.24 -50.06 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.851 1.344 . . . . 99.989999999999995 113.626 -176.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 tp 55.92 77.43 0.24 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 123.403 1.573 . . . . 99.989999999999995 111.905 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' HG3' HH11 ' A' ' 34' ' ' ARG . 0.0 OUTLIER -122.7 127.75 49.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 112.959 -1.928 . . . . 99.989999999999995 110.56 -171.722 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -129.77 -37.43 1.54 Allowed 'General case' 0 C--O 1.251 1.152 0 CA-C-O 117.199 -1.381 . . . . 99.989999999999995 113.316 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.893 0 CA-C-N 121.396 1.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.689 ' O ' ' O ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.485 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.689 ' O ' ' O ' ' A' ' 0' ' ' ACE . 30.5 m95 13.63 134.15 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.076 1 C-N-CA 109.525 -4.87 . . . . 99.989999999999995 112.424 . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.527 ' HD2' ' HH ' ' A' ' 6' ' ' TYR . 60.4 Cg_endo -64.73 146.77 89.16 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.044 2.496 . . . . 0.0 112.18 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -74.29 73.57 3.86 Favored 'Trans proline' 0 N--CA 1.48 0.712 0 C-N-CA 122.814 2.343 . . . . 0.0 111.114 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.8 157.59 33.61 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 113.986 -1.461 . . . . 99.989999999999995 109.888 -172.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 p -75.12 141.47 43.74 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.222 -0.899 . . . . 99.989999999999995 112.209 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HH ' ' HD2' ' A' ' 2' ' ' PRO . 67.4 m-85 -111.78 147.38 35.81 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.953 -1.021 . . . . 99.989999999999995 112.781 171.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.612 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 13.5 m -133.97 146.71 50.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 113.08 -1.873 . . . . 99.989999999999995 110.805 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.3 t -85.75 130.1 34.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.309 -0.997 . . . . 99.989999999999995 108.309 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 p -80.21 14.53 1.88 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.139 1.533 . . . . 99.989999999999995 115.139 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -50.75 2.66 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.667 0.988 . . . . 99.989999999999995 113.667 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 p -115.73 6.6 14.47 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.333 -0.988 . . . . 99.989999999999995 108.333 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.53 33.74 14.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.166 2.284 . . . . 99.989999999999995 117.166 -177.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.612 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -66.48 160.55 24.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.786 1.235 . . . . 99.989999999999995 113.932 176.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.33 131.31 53.04 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.109 0.781 . . . . 99.989999999999995 113.109 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.08 109.35 0.47 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.261 1.424 . . . . 99.989999999999995 114.56 178.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -61.39 -33.44 73.67 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.583 -0.698 . . . . 99.989999999999995 112.703 167.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 p -84.47 128.36 34.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.005 1.483 . . . . 99.989999999999995 115.005 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.2 -42.87 61.19 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 112.797 -2.002 . . . . 99.989999999999995 114.428 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -50.48 -43.14 55.41 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.271 1.211 . . . . 99.989999999999995 114.271 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.21 29.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.941 0.776 . . . . 99.989999999999995 112.433 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -61.54 2.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.828 0.851 . . . . 99.989999999999995 112.904 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.47 -51.25 57.53 Favored Glycine 0 N--CA 1.482 1.76 0 C-N-CA 123.715 0.674 . . . . 99.989999999999995 112.82 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.54 -28.64 67.94 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.349 -0.926 . . . . 99.989999999999995 113.656 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.613 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.683 -0.488 . . . . 99.989999999999995 109.683 -172.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -33.43 71.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.382 -0.826 . . . . 99.989999999999995 112.839 173.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -58.98 -41.86 88.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.952 0.901 . . . . 99.989999999999995 112.725 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 24' ' ' HIS . 2.2 p -63.38 -25.83 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.299 0.851 . . . . 99.989999999999995 113.299 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 -82.33 48.07 1.23 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.607 -0.516 . . . . 99.989999999999995 109.607 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -173.86 83.51 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 125.878 1.671 . . . . 99.989999999999995 112.943 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -173.16 166.54 4.92 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 113.942 -1.481 . . . . 99.989999999999995 111.945 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.53 136.32 33.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.387 -0.824 . . . . 99.989999999999995 110.457 171.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.93 91.45 5.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.592 0.711 . . . . 99.989999999999995 110.471 -178.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.5 143.54 38.39 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 113.739 -1.573 . . . . 99.989999999999995 113.112 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -142.09 157.39 44.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.536 1.134 . . . . 99.989999999999995 112.086 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 tp 61.86 107.93 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.156 1.782 . . . . 99.989999999999995 114.221 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.57 89.08 2.99 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.443 -1.253 . . . . 99.989999999999995 111.74 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -167.3 155.7 9.62 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 113.168 -1.833 . . . . 99.989999999999995 114.592 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 121.618 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.621 ' H1 ' ' HD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.468 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.621 ' HD1' ' H1 ' ' A' ' 0' ' ' ACE . 27.5 m95 -116.07 132.72 23.1 Favored Pre-proline 0 N--CA 1.484 1.24 1 C-N-CA 109.438 -4.905 . . . . 99.989999999999995 112.833 . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.97 146.11 90.84 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.94 2.427 . . . . 0.0 113.215 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.42 -6.12 16.77 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.497 2.798 . . . . 0.0 115.326 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 157.92 25.87 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.271 1.028 . . . . 99.989999999999995 113.494 175.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 13.7 p -66.92 142.21 57.37 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.362 -1.29 . . . . 99.989999999999995 111.767 173.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 59.3 m-85 -108.84 148.5 30.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.799 -1.091 . . . . 99.989999999999995 113.125 173.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.748 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 66.7 m -136.65 142.24 43.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.25 -1.795 . . . . 99.989999999999995 111.446 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.5 t -80.99 129.74 34.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.317 -0.994 . . . . 99.989999999999995 108.317 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -82.44 21.22 0.98 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.659 1.355 . . . . 99.989999999999995 114.659 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -50.14 2.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.346 1.058 . . . . 99.989999999999995 113.351 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -116.79 4.93 13.01 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.304 -0.999 . . . . 99.989999999999995 108.304 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.73 46.03 24.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.929 2.196 . . . . 99.989999999999995 116.929 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.748 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.1 mmt180 -82.35 154.3 25.34 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.249 -1.341 . . . . 99.989999999999995 113.638 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -115.91 134.63 54.78 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.913 1.079 . . . . 99.989999999999995 113.913 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.53 108.31 0.33 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.078 1.351 . . . . 99.989999999999995 113.898 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 2.9 mpt_? -61.05 -34.74 75.35 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.946 0.879 . . . . 99.989999999999995 111.701 168.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.434 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 29.7 p -83.58 122.44 28.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.453 1.501 . . . . 99.989999999999995 114.372 -173.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.37 -33.73 44.52 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.597 -1.638 . . . . 99.989999999999995 114.725 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 1.0 OUTLIER -55.7 -37.84 68.9 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.859 1.059 . . . . 99.989999999999995 113.859 175.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.33 -24.31 22.03 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.731 -1.122 . . . . 99.989999999999995 113.122 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -57.94 3.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.843 0.857 . . . . 99.989999999999995 112.431 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.77 52.84 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 123.711 0.672 . . . . 99.989999999999995 112.388 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -29.77 65.57 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 113.853 -1.173 . . . . 99.989999999999995 113.715 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.644 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.1 t60 -74.24 -40.74 62.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.65 -0.5 . . . . 99.989999999999995 109.65 -172.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -35.19 73.07 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.194 -0.912 . . . . 99.989999999999995 112.694 174.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.78 -39.41 80.99 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.049 0.759 . . . . 99.989999999999995 113.049 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.4 p -64.0 -25.5 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 112.925 0.713 . . . . 99.989999999999995 112.925 175.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -84.02 50.01 1.75 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.431 0.693 . . . . 99.989999999999995 109.521 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -171.02 117.65 0.47 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.423 2.289 . . . . 99.989999999999995 108.903 171.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.603 ' HB2' HH11 ' A' ' 30' ' ' ARG . 1.2 ttm105 50.46 52.55 14.6 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 123.52 1.628 . . . . 99.989999999999995 113.354 174.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -169.24 146.1 3.48 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 113.781 -1.554 . . . . 99.989999999999995 109.221 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.17 89.61 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.246 0.966 . . . . 99.989999999999995 109.917 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -169.48 -82.5 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 113.753 -1.567 . . . . 99.989999999999995 113.007 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HG2' HG21 ' A' ' 27' ' ' VAL . 0.6 OUTLIER 61.11 174.89 0.11 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.195 1.398 . . . . 99.989999999999995 112.847 -170.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 40.91 78.83 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.155 1.782 . . . . 99.989999999999995 113.785 176.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.9 121.59 44.42 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 113.917 -1.492 . . . . 99.989999999999995 111.88 -176.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp -59.7 147.02 39.19 Favored 'General case' 0 C--O 1.253 1.26 0 N-CA-C 115.121 1.526 . . . . 99.989999999999995 115.121 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 121.311 1.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.451 ' H2 ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.239 0.51 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.451 ' CD1' ' H2 ' ' A' ' 0' ' ' ACE . 5.3 m-90 -146.45 146.33 26.91 Favored Pre-proline 0 N--CA 1.48 1.054 1 C-N-CA 109.575 -4.85 . . . . 99.989999999999995 114.294 . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -66.15 151.18 84.29 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.927 2.418 . . . . 0.0 111.668 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -71.95 32.41 0.26 Allowed 'Trans proline' 0 CA--C 1.546 1.123 0 C-N-CA 123.664 2.909 . . . . 0.0 115.565 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.427 ' HG2' ' H ' ' A' ' 5' ' ' SER . 20.2 ttt180 -101.51 -152.28 0.43 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 107.379 -1.341 . . . . 99.989999999999995 107.379 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' H ' ' HG2' ' A' ' 4' ' ' ARG . 46.3 p -65.42 128.65 36.74 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.387 0.675 . . . . 99.989999999999995 111.542 175.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -98.82 148.58 23.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 112.436 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.622 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 82.0 m -135.33 141.51 45.62 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.335 -1.757 . . . . 99.989999999999995 110.261 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.9 t -77.98 129.12 34.91 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.269 -1.011 . . . . 99.989999999999995 108.269 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 p -81.14 19.58 0.9 Allowed 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.862 1.43 . . . . 99.989999999999995 114.862 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -51.37 2.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.225 1.01 . . . . 99.989999999999995 113.706 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -115.48 4.43 14.26 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.301 -1.0 . . . . 99.989999999999995 108.301 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 56.07 26.94 10.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.55 2.426 . . . . 99.989999999999995 117.55 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.622 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -70.58 150.65 45.86 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.634 0.976 . . . . 99.989999999999995 113.634 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.95 136.18 54.22 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.835 1.05 . . . . 99.989999999999995 113.835 -173.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.33 117.8 0.75 Allowed 'General case' 0 N--CA 1.484 1.258 0 O-C-N 125.156 1.535 . . . . 99.989999999999995 113.39 -179.218 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.91 -39.65 93.85 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.615 0.722 . . . . 99.989999999999995 112.002 167.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -76.92 122.07 24.34 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.571 1.323 . . . . 99.989999999999995 114.571 -173.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.3 47.94 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 113.34 -1.755 . . . . 99.989999999999995 114.343 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -54.57 -47.16 73.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.178 0.991 . . . . 99.989999999999995 112.63 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.93 -45.1 62.34 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.775 -0.648 . . . . 99.989999999999995 112.179 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -59.47 4.81 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.256 1.022 . . . . 99.989999999999995 112.698 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -52.58 49.85 Favored Glycine 0 N--CA 1.48 1.619 0 C-N-CA 123.734 0.683 . . . . 99.989999999999995 112.439 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.45 64.97 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 114.199 -1.001 . . . . 99.989999999999995 113.656 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.623 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.3 t60 -74.59 -40.47 61.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.584 -0.524 . . . . 99.989999999999995 109.584 -173.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -34.52 73.68 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.743 -0.662 . . . . 99.989999999999995 112.542 174.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.66 -37.27 75.61 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.683 0.793 . . . . 99.989999999999995 113.062 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.51 -21.2 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 113.402 0.89 . . . . 99.989999999999995 113.402 174.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 -88.85 45.81 1.33 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.618 0.767 . . . . 99.989999999999995 109.653 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -171.13 94.25 0.18 Allowed 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.125 0.964 . . . . 99.989999999999995 112.323 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.439 HH21 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -158.75 143.34 15.85 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 113.927 -1.488 . . . . 99.989999999999995 112.613 172.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -125.04 -92.51 0.51 Allowed 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 113.496 -1.684 . . . . 99.989999999999995 107.286 172.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -132.15 113.6 13.5 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.928 0.891 . . . . 99.989999999999995 109.024 165.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.55 -86.22 0.65 Allowed 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.111 -1.404 . . . . 99.989999999999995 110.043 172.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.9 99.83 0.77 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.857 -1.534 . . . . 99.989999999999995 106.857 176.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.3 tp 65.92 146.4 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.7 1.6 . . . . 99.989999999999995 113.121 -171.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.36 138.66 7.67 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 113.625 -1.625 . . . . 99.989999999999995 110.537 171.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD12 HH21 ' A' ' 30' ' ' ARG . 81.7 mt 47.25 83.16 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 116.469 2.026 . . . . 99.989999999999995 116.469 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.866 0 O-C-N 120.358 -1.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.719 ' CH3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.238 0.493 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.488 ' C ' ' O ' ' A' ' 0' ' ' ACE . 17.6 t-105 0.18 81.09 0.04 OUTLIER Pre-proline 0 CA--C 1.557 1.215 1 C-N-CA 109.573 -4.851 . . . . 99.989999999999995 114.107 . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.719 ' HD3' ' CH3' ' A' ' 0' ' ' ACE . 94.4 Cg_endo -76.24 158.04 37.4 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 122.688 2.259 . . . . 0.0 111.625 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -61.79 -11.03 19.02 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.124 2.549 . . . . 0.0 115.365 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -159.97 139.96 11.55 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.689 1.596 . . . . 99.989999999999995 106.719 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p 73.52 160.03 0.23 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 127.389 2.275 . . . . 99.989999999999995 114.067 -174.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -119.5 149.11 42.43 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 114.808 -1.087 . . . . 99.989999999999995 112.504 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.696 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 57.9 m -136.37 142.11 43.75 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 113.555 -1.657 . . . . 99.989999999999995 110.725 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.5 t -81.15 129.25 34.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.21 -1.033 . . . . 99.989999999999995 108.21 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -81.32 20.51 0.85 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.749 1.389 . . . . 99.989999999999995 114.749 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.2 -52.42 2.07 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.249 1.02 . . . . 99.989999999999995 113.321 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.9 p -114.91 7.89 15.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.277 -1.009 . . . . 99.989999999999995 108.277 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? 52.01 35.66 16.66 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.308 1.843 . . . . 99.989999999999995 115.689 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.696 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -75.14 153.99 37.95 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.669 0.988 . . . . 99.989999999999995 113.669 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.31 131.78 54.4 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.597 1.332 . . . . 99.989999999999995 114.597 -177.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.12 113.64 1.22 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.218 1.407 . . . . 99.989999999999995 113.886 -178.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.68 -25.7 66.68 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.035 1.124 . . . . 99.989999999999995 114.035 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -95.55 126.2 40.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.509 1.123 . . . . 99.989999999999995 113.635 -174.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.42 -34.69 58.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.721 -1.581 . . . . 99.989999999999995 114.394 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -54.62 -37.27 65.42 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.189 1.396 . . . . 99.989999999999995 112.731 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.56 5.21 46.08 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.214 1.19 . . . . 99.989999999999995 114.214 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.18 -58.19 1.94 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.901 0.88 . . . . 99.989999999999995 109.915 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.25 -51.44 55.96 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.489 0.566 . . . . 99.989999999999995 112.061 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.79 65.58 Favored Glycine 0 CA--C 1.54 1.648 0 CA-C-N 114.094 -1.053 . . . . 99.989999999999995 113.868 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.618 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.4 t60 -74.25 -40.06 62.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.536 -0.542 . . . . 99.989999999999995 109.536 -174.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -36.01 73.91 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.465 -0.789 . . . . 99.989999999999995 112.501 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.6 -38.39 74.83 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.438 0.695 . . . . 99.989999999999995 112.795 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -65.4 -20.95 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 113.397 0.888 . . . . 99.989999999999995 113.397 175.773 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.421 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -89.88 48.69 1.61 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.416 0.686 . . . . 99.989999999999995 109.617 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -171.85 97.89 0.17 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.301 1.84 . . . . 99.989999999999995 109.107 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 -157.91 148.13 20.44 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.171 -1.377 . . . . 99.989999999999995 109.014 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 62.14 154.21 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.901 2.081 . . . . 99.989999999999995 113.72 -172.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 3.4 tpt180 -131.64 87.32 2.44 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.969 0.89 . . . . 99.989999999999995 110.914 171.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.43 40.8 0.18 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.535 1.309 . . . . 99.989999999999995 114.535 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -163.49 93.88 0.77 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.209 1.004 . . . . 99.989999999999995 110.287 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 mp 62.37 151.08 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 113.506 -1.679 . . . . 99.989999999999995 113.59 -172.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.6 -65.21 1.18 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.131 -1.395 . . . . 99.989999999999995 112.759 175.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -35.03 76.92 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 117.119 -1.419 . . . . 99.989999999999995 112.582 173.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 121.46 1.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.612 ' O ' ' HB3' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.24 0.604 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.612 ' HB3' ' O ' ' A' ' 0' ' ' ACE . 2.3 t-105 99.26 85.66 0.01 OUTLIER Pre-proline 0 N--CA 1.483 1.183 1 C-N-CA 109.497 -4.881 . . . . 99.989999999999995 115.004 . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.12 142.66 17.26 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.661 2.24 . . . . 0.0 110.638 172.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -70.84 33.76 0.24 Allowed 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 123.852 3.035 . . . . 0.0 116.374 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -178.01 112.5 0.07 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.427 2.691 . . . . 99.989999999999995 108.064 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.9 p 59.15 173.74 0.07 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.111 1.364 . . . . 99.989999999999995 112.994 -176.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -122.28 147.16 46.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.27 1.033 . . . . 99.989999999999995 111.792 170.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.583 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 95.0 m -128.51 144.81 51.21 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 112.868 -1.969 . . . . 99.989999999999995 108.931 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.8 t -82.6 131.22 35.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.366 -0.975 . . . . 99.989999999999995 108.366 173.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 p -80.73 14.06 2.31 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.038 1.496 . . . . 99.989999999999995 115.038 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.57 -49.1 2.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.9 1.074 . . . . 99.989999999999995 113.9 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -117.45 7.78 12.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.246 -1.02 . . . . 99.989999999999995 108.246 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 21.17 4.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 116.95 2.204 . . . . 99.989999999999995 116.95 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.583 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -61.22 152.52 28.65 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.607 1.163 . . . . 99.989999999999995 112.94 177.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.67 135.44 54.97 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.863 0.69 . . . . 99.989999999999995 112.863 -178.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.55 113.26 0.61 Allowed 'General case' 0 N--CA 1.483 1.213 0 O-C-N 125.308 1.63 . . . . 99.989999999999995 113.192 178.336 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 64.6 ttt-85 -67.75 -34.86 77.66 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.605 -0.684 . . . . 99.989999999999995 112.292 170.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.4 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 19.5 p -75.35 115.24 14.79 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.727 1.211 . . . . 99.989999999999995 113.783 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.86 -36.13 11.52 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.566 1.691 . . . . 99.989999999999995 115.566 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 0.7 OUTLIER -54.07 -46.94 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.069 1.136 . . . . 99.989999999999995 114.069 173.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.26 -26.81 60.44 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.9 -1.045 . . . . 99.989999999999995 113.324 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -61.1 1.92 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.776 1.231 . . . . 99.989999999999995 111.771 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.16 -51.81 51.52 Favored Glycine 0 N--CA 1.481 1.672 0 C-N-CA 124.036 0.826 . . . . 99.989999999999995 112.796 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -30.13 67.24 Favored Glycine 0 CA--C 1.54 1.643 0 CA-C-N 114.066 -1.067 . . . . 99.989999999999995 113.487 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.4 t60 -72.45 -42.07 65.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.677 -0.49 . . . . 99.989999999999995 109.677 -172.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -34.08 73.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.36 -0.836 . . . . 99.989999999999995 112.342 175.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.78 -39.69 81.79 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.147 0.795 . . . . 99.989999999999995 113.147 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -64.13 -25.9 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.514 0.931 . . . . 99.989999999999995 113.514 174.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 -80.9 46.82 0.93 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.814 0.846 . . . . 99.989999999999995 109.688 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -170.42 97.08 0.25 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.61 1.964 . . . . 99.989999999999995 113.031 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.66 164.7 13.87 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 113.625 -1.625 . . . . 99.989999999999995 112.108 169.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -57.78 91.74 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.74 1.216 . . . . 99.989999999999995 111.776 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.66 -46.84 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.812 -1.54 . . . . 99.989999999999995 112.286 -168.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 64.89 -65.08 0.15 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.37 1.868 . . . . 99.989999999999995 115.655 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.632 ' CZ ' ' HE ' ' A' ' 36' ' ' ARG . 7.1 ttp180 -175.95 -51.08 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.374 1.07 . . . . 99.989999999999995 113.419 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 54.44 94.35 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.079 1.511 . . . . 99.989999999999995 115.079 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.632 ' HE ' ' CZ ' ' A' ' 34' ' ' ARG . 9.5 ptp85 -111.89 152.17 28.3 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 114.065 -1.425 . . . . 99.989999999999995 111.99 -177.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 tp -62.08 143.82 56.11 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-O 117.409 -1.281 . . . . 99.989999999999995 112.907 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.882 0 CA-C-N 121.28 1.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.461 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -53.05 144.8 26.18 Favored Pre-proline 0 N--CA 1.48 1.064 1 C-N-CA 109.525 -4.87 . . . . 99.989999999999995 115.48 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.26 145.29 71.7 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.745 2.297 . . . . 0.0 112.243 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.53 19.01 0.47 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.746 2.297 . . . . 0.0 115.05 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -93.74 74.54 4.29 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 106.75 -1.574 . . . . 99.989999999999995 106.75 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m 62.12 152.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 112.679 -2.055 . . . . 99.989999999999995 113.209 -172.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.1 m-85 -118.85 146.22 45.04 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.581 -1.19 . . . . 99.989999999999995 113.403 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.5 m -135.26 148.77 49.66 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 112.893 -1.958 . . . . 99.989999999999995 111.252 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -91.62 125.2 36.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.279 -1.008 . . . . 99.989999999999995 108.279 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -76.79 21.4 0.21 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.656 1.724 . . . . 99.989999999999995 115.656 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 -45.68 2.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.008 1.114 . . . . 99.989999999999995 114.008 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -122.48 8.83 9.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.398 -0.964 . . . . 99.989999999999995 108.398 -176.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.09 43.92 11.29 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 117.19 2.293 . . . . 99.989999999999995 117.19 -174.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.7 mmt180 -74.81 161.38 29.64 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.381 1.252 . . . . 99.989999999999995 114.381 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -124.72 132.23 53.4 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.279 0.844 . . . . 99.989999999999995 113.279 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -172.48 97.23 0.15 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 115.005 1.483 . . . . 99.989999999999995 115.005 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -57.68 -29.96 65.06 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.925 -1.11 . . . . 99.989999999999995 112.332 170.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -81.22 120.74 25.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.95 1.3 . . . . 99.989999999999995 114.249 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.73 -33.48 48.21 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.793 -1.549 . . . . 99.989999999999995 114.449 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -42.66 55.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.902 1.681 . . . . 99.989999999999995 112.361 174.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.61 -24.55 19.52 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 114.833 -1.076 . . . . 99.989999999999995 113.461 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -60.14 2.54 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.782 0.833 . . . . 99.989999999999995 112.123 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.56 -50.34 63.61 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 123.709 0.671 . . . . 99.989999999999995 112.716 -176.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -31.18 68.24 Favored Glycine 0 CA--C 1.54 1.61 0 CA-C-N 114.228 -0.986 . . . . 99.989999999999995 113.722 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.627 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.7 t60 -73.89 -38.94 64.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.566 -0.531 . . . . 99.989999999999995 109.566 -172.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -33.68 72.46 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.631 0.974 . . . . 99.989999999999995 113.631 173.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -58.08 -44.65 87.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.655 0.782 . . . . 99.989999999999995 112.2 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -60.25 -26.34 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.663 0.616 . . . . 99.989999999999995 112.663 176.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 -83.4 48.11 1.36 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.656 -0.498 . . . . 99.989999999999995 109.656 176.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -164.27 18.02 0.06 Allowed 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.552 1.316 . . . . 99.989999999999995 114.552 167.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -159.78 51.58 0.34 Allowed 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 122.617 1.198 . . . . 99.989999999999995 113.956 -169.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -178.9 -62.8 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 114.645 -1.162 . . . . 99.989999999999995 110.556 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 66.66 129.14 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.505 1.922 . . . . 99.989999999999995 110.789 -169.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.0 154.72 35.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 113.217 -1.81 . . . . 99.989999999999995 110.396 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 154.55 38.07 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.357 -1.292 . . . . 99.989999999999995 110.803 176.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.4 tp 70.87 128.41 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 126.798 2.039 . . . . 99.989999999999995 112.496 -170.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.79 88.32 2.84 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.186 -1.37 . . . . 99.989999999999995 111.675 173.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp 51.78 78.96 0.11 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 113.212 -1.813 . . . . 99.989999999999995 115.276 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.892 0 O-C-N 120.261 -1.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.487 ' O ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.237 0.423 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.487 ' CD1' ' O ' ' A' ' 0' ' ' ACE . 0.4 OUTLIER 14.82 98.98 0.02 OUTLIER Pre-proline 0 N--CA 1.481 1.092 1 C-N-CA 109.605 -4.838 . . . . 99.989999999999995 117.367 . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 1' ' ' TRP . 89.4 Cg_endo -69.5 163.27 38.68 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.791 2.994 . . . . 0.0 113.001 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.23 -21.0 57.93 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.021 2.481 . . . . 0.0 114.544 169.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -69.31 66.16 0.18 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.728 1.211 . . . . 99.989999999999995 112.652 172.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 60.8 p 60.36 156.92 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.867 2.067 . . . . 99.989999999999995 113.765 -175.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 82.2 m-85 -107.5 147.98 29.8 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.029 -0.987 . . . . 99.989999999999995 112.41 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 51.8 m -134.22 144.39 48.4 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 113.484 -1.689 . . . . 99.989999999999995 110.625 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.4 t -85.34 126.54 33.82 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.398 -0.964 . . . . 99.989999999999995 108.398 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 p -81.05 24.97 0.48 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.333 1.234 . . . . 99.989999999999995 114.333 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.17 -51.08 1.66 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.633 1.173 . . . . 99.989999999999995 113.344 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -117.32 4.48 12.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.274 -1.01 . . . . 99.989999999999995 108.274 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.71 37.97 21.6 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 117.844 2.535 . . . . 99.989999999999995 117.844 -175.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.657 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.6 OUTLIER -69.97 156.93 38.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.229 1.411 . . . . 99.989999999999995 113.781 175.198 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -121.23 133.14 55.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.21 0.818 . . . . 99.989999999999995 113.21 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.71 105.39 0.35 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 114.78 1.4 . . . . 99.989999999999995 114.78 178.416 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 11.2 ptt180 -62.57 -27.12 68.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.001 1.111 . . . . 99.989999999999995 114.001 167.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -88.47 120.7 30.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.793 1.237 . . . . 99.989999999999995 113.314 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.87 28.73 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 113.953 -1.476 . . . . 99.989999999999995 114.778 176.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -54.76 -39.39 68.3 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.91 1.284 . . . . 99.989999999999995 113.422 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.82 3.8 53.4 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.076 1.139 . . . . 99.989999999999995 114.076 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.76 -60.68 1.48 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.165 0.986 . . . . 99.989999999999995 110.064 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.45 63.45 Favored Glycine 0 N--CA 1.483 1.786 0 C-N-CA 123.545 0.593 . . . . 99.989999999999995 112.054 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.34 -32.23 63.69 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 113.851 -1.175 . . . . 99.989999999999995 113.409 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.623 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.3 t60 -73.28 -44.72 58.73 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.579 -0.526 . . . . 99.989999999999995 109.579 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.09 69.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.071 0.767 . . . . 99.989999999999995 113.071 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.94 -38.46 82.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.393 0.886 . . . . 99.989999999999995 113.393 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.2 p -67.27 -16.7 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 114.034 1.124 . . . . 99.989999999999995 114.034 175.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -88.93 -83.75 0.22 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.258 1.023 . . . . 99.989999999999995 109.555 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 161.12 150.95 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 129.822 3.249 . . . . 99.989999999999995 110.669 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HB2' HH11 ' A' ' 30' ' ' ARG . 0.9 OUTLIER 57.44 90.1 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.708 1.603 . . . . 99.989999999999995 114.579 174.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -146.78 36.99 0.96 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 113.735 -1.575 . . . . 99.989999999999995 112.642 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 58.81 -73.18 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.674 1.189 . . . . 99.989999999999995 113.583 -166.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.84 48.05 4.9 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.076 1.751 . . . . 99.989999999999995 114.592 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.5 -78.94 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 113.235 -1.802 . . . . 99.989999999999995 111.261 -170.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt 61.34 159.32 0.05 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.107 1.363 . . . . 99.989999999999995 114.351 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -142.95 141.27 31.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 113.593 -1.639 . . . . 99.989999999999995 111.594 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.0 tp -65.79 -34.39 78.07 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 117.316 -1.326 . . . . 99.989999999999995 112.774 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 121.36 1.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.421 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 28.25 81.61 0.21 Allowed Pre-proline 0 CA--C 1.555 1.168 1 C-N-CA 109.481 -4.887 . . . . 99.989999999999995 114.826 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.559 ' HD2' ' HH ' ' A' ' 6' ' ' TYR . 98.9 Cg_endo -78.23 144.38 20.73 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.949 2.433 . . . . 0.0 110.89 173.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.15 81.69 1.14 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.779 2.319 . . . . 0.0 112.084 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -158.17 154.29 27.13 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.446 -1.706 . . . . 99.989999999999995 108.475 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -74.11 141.41 45.63 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 114.662 -1.154 . . . . 99.989999999999995 111.413 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.559 ' HH ' ' HD2' ' A' ' 2' ' ' PRO . 66.0 m-85 -119.2 151.76 37.8 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.174 0.921 . . . . 99.989999999999995 113.483 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.621 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 97.3 m -141.01 142.53 34.24 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.894 -1.503 . . . . 99.989999999999995 110.755 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 20.7 t -78.94 138.86 38.28 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.283 -1.006 . . . . 99.989999999999995 108.283 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -87.4 14.32 8.26 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 115.237 1.569 . . . . 99.989999999999995 115.237 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.67 -48.95 2.66 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.733 1.012 . . . . 99.989999999999995 113.733 177.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -114.96 -1.46 13.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.333 -0.988 . . . . 99.989999999999995 108.333 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 54.89 29.55 12.27 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.619 2.081 . . . . 99.989999999999995 116.619 -175.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.621 ' O ' ' HA ' ' A' ' 7' ' ' THR . 5.5 mtp85 -66.32 153.36 42.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.332 0.864 . . . . 99.989999999999995 113.332 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -121.53 131.1 53.95 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.443 0.905 . . . . 99.989999999999995 113.443 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -163.94 112.73 1.2 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 113.967 -1.47 . . . . 99.989999999999995 112.907 -177.193 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -46.99 88.05 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.676 -0.64 . . . . 99.989999999999995 111.319 168.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 p -68.63 116.42 9.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.756 1.222 . . . . 99.989999999999995 114.239 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.86 -35.56 6.5 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.138 1.533 . . . . 99.989999999999995 115.138 173.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.7 -42.54 71.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.151 0.98 . . . . 99.989999999999995 113.558 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.49 3.94 52.49 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.09 1.144 . . . . 99.989999999999995 114.09 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 -58.01 1.95 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.39 1.076 . . . . 99.989999999999995 109.736 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.98 59.2 Favored Glycine 0 N--CA 1.481 1.658 0 C-N-CA 123.651 0.643 . . . . 99.989999999999995 112.084 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -30.84 68.09 Favored Glycine 0 CA--C 1.54 1.627 0 CA-C-N 114.302 -0.949 . . . . 99.989999999999995 113.652 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.656 ' CE1' ' NE2' ' A' ' 28' ' ' HIS . 20.7 t60 -72.89 -41.22 64.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.627 -0.508 . . . . 99.989999999999995 109.627 -173.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.85 72.83 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.957 0.725 . . . . 99.989999999999995 112.957 174.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.52 -42.34 82.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.637 0.775 . . . . 99.989999999999995 112.739 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.9 p -62.76 -26.91 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.358 0.873 . . . . 99.989999999999995 113.358 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.656 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 -81.96 37.97 0.51 Allowed 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.649 -0.5 . . . . 99.989999999999995 109.649 176.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -143.0 0.63 1.22 Allowed 'General case' 0 N--CA 1.478 0.964 0 O-C-N 119.213 -2.179 . . . . 99.989999999999995 114.24 167.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -143.96 83.16 1.74 Allowed 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 122.395 1.093 . . . . 99.989999999999995 112.554 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.97 154.23 1.08 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 113.399 -1.728 . . . . 99.989999999999995 112.021 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -107.77 -53.98 2.55 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 114.376 -1.284 . . . . 99.989999999999995 111.029 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.3 136.08 41.73 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.558 -0.746 . . . . 99.989999999999995 109.392 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.41 162.89 17.29 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.252 1.421 . . . . 99.989999999999995 110.759 -178.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 tp 66.78 106.5 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 126.215 1.806 . . . . 99.989999999999995 113.744 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -62.96 -34.8 78.27 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.389 1.626 . . . . 99.989999999999995 115.389 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 38' ' ' NH2 . 1.9 tm? -164.02 141.25 6.91 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 116.555 -1.688 . . . . 99.989999999999995 110.425 -175.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 0.442 ' N ' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--N 1.316 -0.856 0 CA-C-N 121.653 2.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.508 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 65.9 m95 25.36 79.83 0.21 Allowed Pre-proline 0 CA--C 1.554 1.13 1 C-N-CA 109.553 -4.859 . . . . 99.989999999999995 113.755 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.4 147.11 46.2 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.628 2.219 . . . . 0.0 112.902 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -60.99 -16.79 47.68 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.931 2.421 . . . . 0.0 115.245 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.25 26.7 9.44 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.32 1.23 . . . . 99.989999999999995 114.32 -177.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.519 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 1.7 m -178.96 153.68 0.65 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.487 1.515 . . . . 99.989999999999995 113.264 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 72.4 m-85 -112.0 148.78 33.07 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.254 -0.884 . . . . 99.989999999999995 112.99 173.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 86.8 m -136.27 141.36 43.88 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.259 -1.791 . . . . 99.989999999999995 109.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.0 t -80.75 124.82 29.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.264 -1.013 . . . . 99.989999999999995 108.264 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -75.22 27.55 0.1 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 115.716 1.747 . . . . 99.989999999999995 115.716 171.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.08 -50.27 0.95 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.28 0.845 . . . . 99.989999999999995 113.28 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.3 p -116.3 5.78 13.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.372 -0.973 . . . . 99.989999999999995 108.372 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.88 33.67 11.97 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.807 2.521 . . . . 99.989999999999995 117.807 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.636 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -74.23 152.76 39.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.236 1.014 . . . . 99.989999999999995 113.285 178.037 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.74 133.24 55.99 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.349 -0.842 . . . . 99.989999999999995 113.192 -173.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.98 104.99 0.23 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 125.102 1.501 . . . . 99.989999999999995 114.132 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 15.6 ptt180 -60.37 -29.68 69.08 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.8 1.037 . . . . 99.989999999999995 113.8 169.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.1 p -85.45 123.74 31.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.661 1.185 . . . . 99.989999999999995 113.876 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -35.65 34.74 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.603 -1.635 . . . . 99.989999999999995 114.565 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.45 -45.96 62.87 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.805 1.242 . . . . 99.989999999999995 113.235 174.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.63 -1.58 57.41 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.287 1.217 . . . . 99.989999999999995 114.287 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -58.55 2.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.888 0.875 . . . . 99.989999999999995 110.309 178.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.3 -51.9 53.12 Favored Glycine 0 N--CA 1.483 1.819 0 C-N-CA 123.628 0.633 . . . . 99.989999999999995 112.025 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.37 -30.03 64.12 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 113.899 -1.151 . . . . 99.989999999999995 113.817 173.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.0 t60 -74.17 -41.35 61.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.524 -0.547 . . . . 99.989999999999995 109.524 -174.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.65 -30.49 71.41 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.858 0.688 . . . . 99.989999999999995 112.858 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.71 -39.54 81.07 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.774 0.83 . . . . 99.989999999999995 112.649 172.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.44 -14.43 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 114.417 1.265 . . . . 99.989999999999995 114.417 175.163 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.3 m-70 -93.62 -64.61 1.07 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.473 0.709 . . . . 99.989999999999995 109.606 173.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 55.05 85.64 0.06 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.817 1.647 . . . . 99.989999999999995 114.188 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -127.72 104.04 7.63 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.512 -1.222 . . . . 99.989999999999995 109.884 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -139.01 146.91 41.44 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 114.797 -1.092 . . . . 99.989999999999995 110.265 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -116.1 -51.14 2.64 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.025 1.12 . . . . 99.989999999999995 114.025 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.474 ' HB1' HD23 ' A' ' 35' ' ' LEU . . . -169.52 127.42 0.94 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.613 1.565 . . . . 99.989999999999995 108.944 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -83.39 -55.77 4.13 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.478 0.918 . . . . 99.989999999999995 113.478 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.474 HD23 ' HB1' ' A' ' 33' ' ' ALA . 4.5 mm? 48.77 81.28 0.05 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 115.171 1.545 . . . . 99.989999999999995 115.171 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -117.86 106.4 12.94 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 113.417 -1.719 . . . . 99.989999999999995 110.231 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 tp 58.16 84.74 0.1 Allowed 'General case' 0 C--O 1.254 1.316 0 CA-C-N 113.413 -1.721 . . . . 99.989999999999995 114.026 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.855 0 O-C-N 120.291 -1.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.465 ' O ' ' C ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.45 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.465 ' C ' ' O ' ' A' ' 0' ' ' ACE . 68.8 p-90 -49.82 135.94 19.97 Favored Pre-proline 0 CA--C 1.552 1.033 1 C-N-CA 109.533 -4.867 . . . . 99.989999999999995 115.081 . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -70.55 135.9 29.67 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.857 2.371 . . . . 0.0 112.323 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.36 -172.42 0.9 Allowed 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.073 2.515 . . . . 0.0 112.66 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 58.02 86.85 0.07 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.557 1.943 . . . . 99.989999999999995 111.658 -173.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 74.0 m 59.33 166.64 0.06 Allowed 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 112.771 -2.013 . . . . 99.989999999999995 113.341 -170.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.15 147.38 36.25 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.9 -1.045 . . . . 99.989999999999995 111.876 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.658 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 3.1 m -131.94 145.68 51.64 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 112.799 -2.001 . . . . 99.989999999999995 111.34 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.89 123.39 31.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.245 -1.02 . . . . 99.989999999999995 108.245 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -77.09 32.42 0.14 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.034 1.494 . . . . 99.989999999999995 115.034 172.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.46 -50.38 0.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.178 -0.919 . . . . 99.989999999999995 112.902 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.7 p -118.48 10.02 12.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.33 -0.989 . . . . 99.989999999999995 108.33 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.02 43.19 25.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 118.964 -2.335 . . . . 99.989999999999995 115.491 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.658 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.97 159.33 24.92 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 114.97 -1.014 . . . . 99.989999999999995 113.107 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 133.12 52.17 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.291 0.849 . . . . 99.989999999999995 113.291 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.81 111.11 0.44 Allowed 'General case' 0 N--CA 1.486 1.331 0 O-C-N 125.005 1.441 . . . . 99.989999999999995 113.67 178.456 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 0.7 OUTLIER -64.83 -36.07 83.16 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 121.565 -0.709 . . . . 99.989999999999995 112.024 169.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 p -77.91 125.39 29.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.08 1.352 . . . . 99.989999999999995 114.531 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.78 60.72 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 113.613 -1.63 . . . . 99.989999999999995 114.484 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -53.78 -45.18 70.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.292 1.437 . . . . 99.989999999999995 112.371 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.34 -11.11 55.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.067 1.136 . . . . 99.989999999999995 114.067 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -59.22 2.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.164 0.986 . . . . 99.989999999999995 110.854 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.44 61.11 Favored Glycine 0 N--CA 1.48 1.613 0 C-N-CA 123.754 0.692 . . . . 99.989999999999995 112.433 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.65 -31.41 71.06 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-N 114.073 -1.063 . . . . 99.989999999999995 113.593 173.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.602 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.2 t60 -73.55 -40.42 63.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.559 -0.534 . . . . 99.989999999999995 109.559 -173.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -28.16 69.39 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.04 1.496 . . . . 99.989999999999995 115.04 173.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -61.46 -44.18 97.56 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 124.189 0.93 . . . . 99.989999999999995 111.955 173.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.6 p -64.14 -23.0 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.442 1.275 . . . . 99.989999999999995 114.442 176.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.406 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 -82.58 -95.01 0.05 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.612 -0.514 . . . . 99.989999999999995 109.612 173.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 170.34 70.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 127.307 2.243 . . . . 99.989999999999995 110.482 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.85 167.8 0.06 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 113.146 -1.843 . . . . 99.989999999999995 111.821 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -76.2 82.65 3.01 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.358 -0.839 . . . . 99.989999999999995 109.41 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 72.64 -33.35 0.27 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.393 2.277 . . . . 99.989999999999995 114.681 175.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB1' ' HG3' ' A' ' 36' ' ' ARG . . . -158.91 148.48 19.02 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.865 1.666 . . . . 99.989999999999995 111.311 174.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -81.08 84.86 6.41 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.393 0.616 . . . . 99.989999999999995 110.164 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp 67.35 -62.92 0.31 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 126.189 1.796 . . . . 99.989999999999995 115.19 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.528 ' HG3' ' HB1' ' A' ' 33' ' ' ALA . 39.6 mtp85 58.58 160.52 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.454 1.901 . . . . 99.989999999999995 115.587 -173.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tt -76.7 136.09 39.08 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 113.821 -1.536 . . . . 99.989999999999995 111.239 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 121.337 1.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.468 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -52.28 143.01 27.38 Favored Pre-proline 0 CA--C 1.554 1.11 1 C-N-CA 109.548 -4.861 . . . . 99.989999999999995 113.881 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.82 136.62 28.09 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.478 2.119 . . . . 0.0 111.618 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -72.39 27.09 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.548 2.832 . . . . 0.0 115.728 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -112.87 156.76 22.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.45 1.1 . . . . 99.989999999999995 110.145 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 41.7 m -52.42 140.19 22.91 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 114.323 -1.308 . . . . 99.989999999999995 112.107 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -95.0 149.0 21.73 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.521 -1.218 . . . . 99.989999999999995 112.045 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.598 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 4.9 m -130.24 149.04 52.11 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 113.154 -1.839 . . . . 99.989999999999995 110.901 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -89.74 124.26 34.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.23 -1.026 . . . . 99.989999999999995 108.23 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -77.74 27.42 0.17 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 115.19 1.552 . . . . 99.989999999999995 115.19 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -49.7 1.39 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.923 0.889 . . . . 99.989999999999995 113.272 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.29 8.38 12.24 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.34 -0.985 . . . . 99.989999999999995 108.34 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? 54.04 28.18 8.46 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.576 2.065 . . . . 99.989999999999995 116.576 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.598 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.9 mmt180 -64.05 159.37 20.35 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.295 1.22 . . . . 99.989999999999995 114.295 176.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.84 133.14 49.37 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.598 -0.728 . . . . 99.989999999999995 112.863 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.08 106.93 0.51 Allowed 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.345 1.653 . . . . 99.989999999999995 113.781 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.642 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 36.2 ptt85 -63.88 -24.85 67.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.372 1.249 . . . . 99.989999999999995 114.372 171.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 p -93.34 125.05 37.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 122.581 1.181 . . . . 99.989999999999995 113.541 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.58 46.42 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.586 -1.643 . . . . 99.989999999999995 115.417 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -55.42 -41.27 72.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.874 0.87 . . . . 99.989999999999995 113.13 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.39 -2.22 58.48 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.405 1.261 . . . . 99.989999999999995 114.405 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -58.85 1.89 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.275 1.03 . . . . 99.989999999999995 110.085 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.21 62.79 Favored Glycine 0 N--CA 1.484 1.844 0 C-N-CA 123.579 0.609 . . . . 99.989999999999995 112.203 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.91 -30.0 68.88 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 114.344 -0.928 . . . . 99.989999999999995 113.723 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.6 t60 -74.84 -38.02 62.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.607 -0.516 . . . . 99.989999999999995 109.607 -173.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -34.01 72.67 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.359 0.874 . . . . 99.989999999999995 113.359 171.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.892 0.877 . . . . 99.989999999999995 113.078 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.9 OUTLIER -68.45 -24.43 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 113.371 0.878 . . . . 99.989999999999995 113.371 172.135 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -89.36 47.13 1.44 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.7 -0.482 . . . . 99.989999999999995 109.7 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -174.02 46.87 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.761 1.624 . . . . 99.989999999999995 113.256 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -114.56 149.44 36.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.35 -1.295 . . . . 99.989999999999995 111.396 -174.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.71 133.53 55.43 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 114.906 -1.043 . . . . 99.989999999999995 113.227 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -119.07 162.34 18.75 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.379 -1.737 . . . . 99.989999999999995 109.799 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.08 159.68 5.56 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.265 -0.88 . . . . 99.989999999999995 112.226 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -51.99 145.01 10.79 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.695 0.798 . . . . 99.989999999999995 110.885 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 tt 70.31 82.71 0.15 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.365 2.266 . . . . 99.989999999999995 109.583 -165.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -148.96 46.83 1.0 Allowed 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 112.872 -1.967 . . . . 99.989999999999995 112.988 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 tp 60.93 93.49 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.327 1.451 . . . . 99.989999999999995 113.617 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.77 0 O-C-N 120.198 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 1.074 ' O ' ' O ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.239 0.53 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 1.074 ' O ' ' O ' ' A' ' 0' ' ' ACE . 68.4 m95 41.07 142.22 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.2 1 C-N-CA 109.447 -4.901 . . . . 99.989999999999995 113.633 . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.69 142.5 70.69 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.501 2.134 . . . . 0.0 111.683 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.55 38.8 0.45 Allowed 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.333 2.689 . . . . 0.0 115.345 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.5 ttp85 -170.13 106.47 0.33 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.053 1.341 . . . . 99.989999999999995 108.934 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 56.7 p 64.39 155.92 0.07 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 126.565 1.946 . . . . 99.989999999999995 113.405 -173.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -112.07 152.03 28.69 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 122.232 1.015 . . . . 99.989999999999995 112.889 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.593 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.1 m -133.48 152.04 51.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.629 -2.078 . . . . 99.989999999999995 109.559 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 44.2 t -91.21 130.26 37.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.247 -1.02 . . . . 99.989999999999995 108.247 172.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -84.58 23.46 1.14 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.302 1.223 . . . . 99.989999999999995 114.302 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.94 -48.21 1.89 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.795 -1.093 . . . . 99.989999999999995 113.051 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.0 p -119.51 6.87 11.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.257 -1.016 . . . . 99.989999999999995 108.257 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.06 36.32 8.5 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 117.318 2.34 . . . . 99.989999999999995 117.318 -176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 7' ' ' THR . 11.1 ttt180 -74.99 159.37 31.87 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.655 0.782 . . . . 99.989999999999995 112.354 177.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.75 135.3 54.94 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.938 0.895 . . . . 99.989999999999995 113.311 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -171.44 109.88 0.29 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.447 1.499 . . . . 99.989999999999995 114.396 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 21.1 ptt-85 -65.97 -30.51 71.08 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.0 1.111 . . . . 99.989999999999995 114.0 168.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 p -79.4 118.33 21.19 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.582 1.182 . . . . 99.989999999999995 113.646 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -33.4 37.48 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.775 -1.557 . . . . 99.989999999999995 114.087 173.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -47.86 62.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.511 1.525 . . . . 99.989999999999995 111.739 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -43.9 39.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 99.989999999999995 112.63 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -58.13 9.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.441 1.097 . . . . 99.989999999999995 112.733 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.63 -53.74 41.51 Favored Glycine 0 N--CA 1.482 1.753 0 C-N-CA 123.606 0.622 . . . . 99.989999999999995 112.367 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -28.99 64.67 Favored Glycine 0 CA--C 1.54 1.603 0 CA-C-N 114.049 -1.076 . . . . 99.989999999999995 113.761 175.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.619 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -72.7 -40.21 66.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.633 -0.506 . . . . 99.989999999999995 109.633 -173.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.23 -28.95 70.09 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.427 0.899 . . . . 99.989999999999995 113.427 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -59.69 -40.95 89.57 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.82 0.848 . . . . 99.989999999999995 112.529 171.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.98 -16.27 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 113.896 1.072 . . . . 99.989999999999995 113.896 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 -90.95 -65.1 1.04 Allowed 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.696 -0.483 . . . . 99.989999999999995 109.696 172.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.12 84.48 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.181 1.392 . . . . 99.989999999999995 114.541 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -72.13 85.02 1.02 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 122.231 1.015 . . . . 99.989999999999995 112.376 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -156.37 -72.33 0.1 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 113.786 -1.552 . . . . 99.989999999999995 110.843 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -167.67 168.9 12.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.918 1.287 . . . . 99.989999999999995 109.082 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.73 125.72 24.24 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.379 0.881 . . . . 99.989999999999995 113.379 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.64 33.09 4.39 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.377 1.621 . . . . 99.989999999999995 115.377 -176.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.5 mt 53.6 -162.68 0.11 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.941 1.296 . . . . 99.989999999999995 111.449 -170.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -74.72 136.59 41.8 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.217 0.917 . . . . 99.989999999999995 109.792 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 pp -38.55 -28.68 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 116.674 2.101 . . . . 99.989999999999995 116.674 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 121.676 2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 1.391 ' O ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.455 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 1.391 ' CD1' ' O ' ' A' ' 0' ' ' ACE . 54.3 m95 -154.75 90.11 3.11 Favored Pre-proline 0 N--CA 1.48 1.067 1 C-N-CA 109.54 -4.864 . . . . 99.989999999999995 116.159 . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.75 145.57 51.81 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 122.784 2.322 . . . . 0.0 111.426 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.84 38.51 0.36 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.699 2.933 . . . . 0.0 115.158 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.42 34.89 0.09 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.082 1.753 . . . . 99.989999999999995 113.977 -177.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 5.1 m -173.23 147.68 1.57 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.247 1.419 . . . . 99.989999999999995 112.478 178.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 70.9 m-85 -118.93 145.99 45.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 114.31 -1.313 . . . . 99.989999999999995 112.071 171.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.589 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 91.4 m -132.84 146.76 52.1 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 113.625 -1.625 . . . . 99.989999999999995 110.588 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.0 t -84.84 129.48 34.81 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.326 -0.99 . . . . 99.989999999999995 108.326 176.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -80.93 19.1 0.9 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.799 1.407 . . . . 99.989999999999995 114.799 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.16 -49.53 2.06 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.162 0.985 . . . . 99.989999999999995 113.576 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.8 p -116.8 4.9 13.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.303 -0.999 . . . . 99.989999999999995 108.303 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 8' ' ' CYS 0.255 0.5 OUTLIER 49.79 32.97 5.76 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.201 2.667 . . . . 99.989999999999995 118.201 -175.649 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.589 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.5 mmt180 -65.71 155.1 37.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.299 1.44 . . . . 99.989999999999995 113.141 173.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.42 132.66 54.47 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 115.629 -0.714 . . . . 99.989999999999995 112.904 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.61 103.28 0.42 Allowed 'General case' 0 N--CA 1.486 1.346 0 O-C-N 125.418 1.699 . . . . 99.989999999999995 114.554 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 28.2 ptt180 -60.94 -26.82 67.77 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 115.083 1.512 . . . . 99.989999999999995 115.083 168.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -88.11 128.02 35.42 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.395 1.093 . . . . 99.989999999999995 113.945 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -39.18 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.609 -1.632 . . . . 99.989999999999995 114.884 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -52.04 -47.95 64.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.904 1.281 . . . . 99.989999999999995 112.726 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.71 -14.72 58.55 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.177 1.177 . . . . 99.989999999999995 114.177 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -60.87 1.88 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.499 1.12 . . . . 99.989999999999995 111.013 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.87 -50.97 58.36 Favored Glycine 0 N--CA 1.482 1.708 0 C-N-CA 123.805 0.717 . . . . 99.989999999999995 112.508 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.07 66.43 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-N 114.031 -1.085 . . . . 99.989999999999995 113.527 174.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -73.89 -41.51 62.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.594 -0.521 . . . . 99.989999999999995 109.594 -173.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.86 73.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.494 -0.776 . . . . 99.989999999999995 112.875 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -57.97 -37.09 73.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.325 0.861 . . . . 99.989999999999995 113.325 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.5 p -67.58 -25.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.392 0.886 . . . . 99.989999999999995 113.392 175.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 -81.96 49.8 1.44 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.96 0.904 . . . . 99.989999999999995 109.541 176.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -174.87 115.71 0.17 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.495 1.518 . . . . 99.989999999999995 108.071 173.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 47.2 -155.27 0.06 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.445 1.498 . . . . 99.989999999999995 113.465 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -152.28 148.72 27.87 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.66 1.584 . . . . 99.989999999999995 108.199 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -74.29 75.99 1.84 Allowed 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.526 1.155 . . . . 99.989999999999995 110.629 175.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.47 -173.64 0.08 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 113.005 -1.907 . . . . 99.989999999999995 112.19 -172.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? 178.17 -70.73 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.789 2.036 . . . . 99.989999999999995 108.156 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 36.27 76.48 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.426 1.891 . . . . 99.989999999999995 113.895 -175.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 47.63 -145.08 0.31 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 112.841 -1.981 . . . . 99.989999999999995 111.777 -171.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.0 tp -65.49 -35.18 80.11 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-O 116.753 -1.594 . . . . 99.989999999999995 112.316 169.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.797 0 CA-C-N 121.644 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.563 ' O ' ' C ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.237 0.445 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.563 ' C ' ' O ' ' A' ' 0' ' ' ACE . 72.6 m95 41.01 91.32 0.06 OUTLIER Pre-proline 0 N--CA 1.48 1.049 1 C-N-CA 109.498 -4.881 . . . . 99.989999999999995 114.142 . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.68 146.03 71.72 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.94 2.427 . . . . 0.0 111.973 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.46 75.5 2.95 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.701 2.267 . . . . 0.0 112.043 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.54 83.52 1.04 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.984 -1.462 . . . . 99.989999999999995 107.84 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 75.5 m 57.75 160.01 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 114.258 -1.337 . . . . 99.989999999999995 114.183 -171.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -122.14 148.31 45.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.993 -1.003 . . . . 99.989999999999995 113.156 170.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 54.8 m -133.28 145.22 50.28 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.202 -1.817 . . . . 99.989999999999995 110.189 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.3 t -82.79 130.16 35.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 99.989999999999995 108.274 175.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p -83.26 22.17 1.04 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.528 1.307 . . . . 99.989999999999995 114.528 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.02 -49.58 1.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.255 1.022 . . . . 99.989999999999995 113.577 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.0 p -117.13 6.13 12.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.279 -1.008 . . . . 99.989999999999995 108.279 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? 55.63 23.95 6.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 116.59 2.07 . . . . 99.989999999999995 116.59 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.623 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -66.4 154.35 40.36 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.155 0.982 . . . . 99.989999999999995 113.432 178.317 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.56 135.93 54.94 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.671 0.989 . . . . 99.989999999999995 113.671 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.68 110.14 0.36 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.788 1.635 . . . . 99.989999999999995 113.462 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 63.9 ttt180 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.317 -0.865 . . . . 99.989999999999995 112.801 169.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.7 p -79.2 125.45 29.47 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.61 1.337 . . . . 99.989999999999995 114.61 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.57 -40.67 65.81 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.376 -1.738 . . . . 99.989999999999995 114.336 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.09 -53.65 6.2 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.768 1.025 . . . . 99.989999999999995 113.768 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.65 -45.65 64.73 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.275 -0.875 . . . . 99.989999999999995 112.215 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -58.95 5.56 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.131 0.972 . . . . 99.989999999999995 112.448 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.78 -54.22 38.18 Favored Glycine 0 N--CA 1.481 1.692 0 C-N-CA 123.622 0.629 . . . . 99.989999999999995 112.348 -176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.46 -28.97 65.64 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 114.018 -1.091 . . . . 99.989999999999995 113.589 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.636 ' O ' HG12 ' A' ' 27' ' ' VAL . 37.6 t60 -72.36 -43.22 64.33 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.564 -0.532 . . . . 99.989999999999995 109.564 -173.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 tpt -65.15 -28.22 69.26 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.498 0.925 . . . . 99.989999999999995 113.498 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.84 -39.12 84.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.087 0.955 . . . . 99.989999999999995 113.152 170.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.1 p -66.76 -22.61 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 113.738 1.014 . . . . 99.989999999999995 113.738 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.457 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.7 m-70 -83.05 -84.05 0.13 Allowed 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.717 0.807 . . . . 99.989999999999995 109.6 173.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 171.06 101.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 127.734 2.414 . . . . 99.989999999999995 109.82 -178.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.2 81.58 1.64 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.489 1.137 . . . . 99.989999999999995 110.077 176.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -170.44 153.2 4.22 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 113.901 -1.5 . . . . 99.989999999999995 112.212 -170.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -62.29 156.27 22.66 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 114.556 -1.202 . . . . 99.989999999999995 113.239 174.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.92 153.09 14.83 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 114.691 -1.141 . . . . 99.989999999999995 110.284 167.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HB3' HD12 ' A' ' 35' ' ' LEU . 4.3 ttt180 71.43 168.73 0.31 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.78 1.632 . . . . 99.989999999999995 111.536 -171.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' A' ' 34' ' ' ARG . 4.9 mp 69.08 -65.06 0.31 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.362 1.865 . . . . 99.989999999999995 113.679 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 42.41 -153.63 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 127.002 2.121 . . . . 99.989999999999995 114.319 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.94 145.21 45.96 Favored 'General case' 0 C--O 1.253 1.246 0 CA-C-O 117.031 -1.461 . . . . 99.989999999999995 113.016 172.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 121.472 1.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.48 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.432 ' HH2' ' HA ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -116.85 139.12 25.3 Favored Pre-proline 0 N--CA 1.482 1.138 1 C-N-CA 109.509 -4.877 . . . . 99.989999999999995 115.548 . . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.34 149.99 75.8 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 122.973 2.449 . . . . 0.0 111.788 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -73.59 72.96 3.57 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.646 2.231 . . . . 0.0 111.415 172.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.46 ' HG2' ' H ' ' A' ' 5' ' ' SER . 15.6 ttm180 -140.29 160.34 40.18 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 113.89 -1.505 . . . . 99.989999999999995 110.264 -178.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.46 ' H ' ' HG2' ' A' ' 4' ' ' ARG . 35.9 m -82.42 144.14 30.7 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.895 1.278 . . . . 99.989999999999995 112.318 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 68.4 m-85 -111.01 146.6 36.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.062 -0.972 . . . . 99.989999999999995 112.783 170.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.678 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 36.7 m -137.64 143.33 41.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.599 -1.637 . . . . 99.989999999999995 111.272 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.4 t -82.5 129.94 35.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.325 -0.991 . . . . 99.989999999999995 108.325 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.2 p -82.14 19.82 1.12 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.802 1.408 . . . . 99.989999999999995 114.802 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.29 -50.47 2.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.278 1.031 . . . . 99.989999999999995 113.393 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -117.28 4.6 12.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.274 -1.01 . . . . 99.989999999999995 108.274 -176.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.53 38.25 21.75 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 117.957 2.577 . . . . 99.989999999999995 117.957 -175.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.678 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -70.49 155.86 40.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.141 1.376 . . . . 99.989999999999995 113.304 175.78 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.86 128.58 49.7 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.486 0.921 . . . . 99.989999999999995 113.486 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.35 105.82 0.88 Allowed 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 123.289 1.518 . . . . 99.989999999999995 114.821 -179.184 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -60.26 -25.6 65.81 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.376 -1.283 . . . . 99.989999999999995 113.509 168.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.528 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 59.2 p -100.09 126.49 46.33 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.481 1.112 . . . . 99.989999999999995 113.874 -173.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.54 -34.53 58.53 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 113.728 -1.578 . . . . 99.989999999999995 114.829 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.528 ' HG2' ' HB2' ' A' ' 17' ' ' SER . 9.4 pt20 -51.7 -40.38 60.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.833 1.253 . . . . 99.989999999999995 113.707 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.56 9.35 42.64 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.837 1.051 . . . . 99.989999999999995 113.837 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.55 -59.0 1.78 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.946 0.898 . . . . 99.989999999999995 109.427 177.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.35 57.54 Favored Glycine 0 N--CA 1.481 1.681 0 C-N-CA 123.418 0.532 . . . . 99.989999999999995 111.87 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.53 66.44 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.988 -1.106 . . . . 99.989999999999995 113.705 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.615 ' O ' HG12 ' A' ' 27' ' ' VAL . 38.5 t60 -73.18 -40.99 64.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.611 -0.514 . . . . 99.989999999999995 109.611 -174.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.33 -30.93 71.51 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.927 0.714 . . . . 99.989999999999995 112.927 175.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -60.07 -36.59 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.54 0.736 . . . . 99.989999999999995 112.908 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -68.88 -14.56 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 N-CA-C 114.071 1.137 . . . . 99.989999999999995 114.071 174.226 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 -94.97 -64.01 1.11 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.421 0.688 . . . . 99.989999999999995 109.571 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.48 64.86 1.2 Allowed 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.784 1.401 . . . . 99.989999999999995 114.784 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -124.92 149.86 47.16 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.282 -1.326 . . . . 99.989999999999995 111.924 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 65.76 149.0 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.108 1.763 . . . . 99.989999999999995 112.74 -169.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -77.0 135.16 38.67 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 114.971 -1.013 . . . . 99.989999999999995 109.433 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.15 -38.65 62.92 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.286 1.217 . . . . 99.989999999999995 114.286 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 38.98 -138.58 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.834 1.653 . . . . 99.989999999999995 113.589 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.5 tp 43.63 52.29 6.24 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.627 1.714 . . . . 99.989999999999995 115.627 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -49.7 -37.48 29.12 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 114.859 1.429 . . . . 99.989999999999995 114.859 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -129.21 -29.56 2.25 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 125.27 1.428 . . . . 99.989999999999995 112.067 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 121.186 1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 1.177 ' O ' ' CB ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.457 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 1.177 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 16.5 t-105 114.03 88.7 0.0 OUTLIER Pre-proline 1 C--N 1.48 6.262 1 C-N-CA 109.504 -4.878 . . . . 99.989999999999995 114.945 . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.53 153.92 35.07 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.269 2.646 . . . . 0.0 111.324 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -55.18 -27.06 54.33 Favored 'Trans proline' 0 N--CA 1.482 0.826 0 C-N-CA 123.151 2.567 . . . . 0.0 115.406 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.448 ' CZ ' ' HE ' ' A' ' 16' ' ' ARG . 64.2 mtp85 -113.72 140.47 48.23 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.496 0.719 . . . . 99.989999999999995 109.976 169.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m 59.73 140.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.076 1.751 . . . . 99.989999999999995 115.331 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -101.27 145.83 28.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 113.885 -1.507 . . . . 99.989999999999995 111.43 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 96.9 m -132.23 145.4 51.3 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.193 -1.821 . . . . 99.989999999999995 109.607 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 42.0 t -83.75 135.94 34.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.311 -0.996 . . . . 99.989999999999995 108.311 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -82.57 7.39 14.7 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.327 1.602 . . . . 99.989999999999995 115.327 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.22 -42.83 4.06 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.989 1.477 . . . . 99.989999999999995 114.989 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -123.96 2.95 8.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.302 -0.999 . . . . 99.989999999999995 108.302 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 52.19 31.45 9.15 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 118.412 2.745 . . . . 99.989999999999995 118.412 -174.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mmt-85 -63.62 150.8 43.32 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.672 0.99 . . . . 99.989999999999995 113.672 172.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -118.67 135.23 54.58 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.267 -0.879 . . . . 99.989999999999995 112.439 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -163.17 127.11 2.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.815 1.322 . . . . 99.989999999999995 113.746 178.038 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HE ' ' CZ ' ' A' ' 4' ' ' ARG . 43.6 ttt-85 -97.53 61.2 1.63 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.386 1.089 . . . . 99.989999999999995 110.946 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -168.89 138.74 2.27 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 114.423 -1.262 . . . . 99.989999999999995 112.661 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.36 74.86 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.719 -1.582 . . . . 99.989999999999995 113.048 173.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -58.62 -53.33 59.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.405 1.082 . . . . 99.989999999999995 111.882 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.84 87.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.768 0.655 . . . . 99.989999999999995 112.768 175.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -57.86 10.28 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.333 1.053 . . . . 99.989999999999995 112.372 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -52.23 52.14 Favored Glycine 0 N--CA 1.48 1.626 0 C-N-CA 124.005 0.812 . . . . 99.989999999999995 112.47 -176.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.04 -28.87 67.01 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 114.285 -0.957 . . . . 99.989999999999995 113.418 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.589 ' O ' HG12 ' A' ' 27' ' ' VAL . 54.5 t60 -74.99 -42.17 58.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.624 -0.51 . . . . 99.989999999999995 109.624 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -32.59 72.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.538 -0.755 . . . . 99.989999999999995 112.493 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -55.72 -46.04 77.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 117.839 -1.076 . . . . 99.989999999999995 111.995 173.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -63.52 -22.43 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 N-CA-C 115.017 1.488 . . . . 99.989999999999995 115.017 178.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -81.08 -57.18 3.64 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.52 -0.548 . . . . 99.989999999999995 109.52 172.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 45.6 21.98 0.09 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 117.088 2.255 . . . . 99.989999999999995 117.088 -177.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -119.43 97.56 5.71 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.472 -0.786 . . . . 99.989999999999995 111.96 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -150.24 42.78 0.85 Allowed 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.693 -1.139 . . . . 99.989999999999995 113.781 174.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.3 ttt-85 63.81 -50.36 0.25 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 127.325 2.25 . . . . 99.989999999999995 113.944 -175.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 115.85 3.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.452 1.501 . . . . 99.989999999999995 111.302 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -156.96 149.52 23.37 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 113.339 -1.755 . . . . 99.989999999999995 107.853 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 mp 63.99 176.75 0.17 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.928 1.291 . . . . 99.989999999999995 112.218 -170.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.12 142.0 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 126.257 1.823 . . . . 99.989999999999995 112.841 -175.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -69.21 140.67 54.58 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 117.016 -1.469 . . . . 99.989999999999995 114.919 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.855 0 CA-C-N 121.538 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.893 ' O ' ' O ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.457 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.893 ' O ' ' O ' ' A' ' 0' ' ' ACE . 25.9 m0 29.24 140.1 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.078 1 C-N-CA 109.494 -4.883 . . . . 99.989999999999995 115.626 . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.91 141.43 84.34 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.804 2.336 . . . . 0.0 112.179 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.69 102.36 0.86 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.571 2.847 . . . . 0.0 111.695 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -157.6 159.44 37.06 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.902 -1.499 . . . . 99.989999999999995 109.488 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p -66.72 102.44 0.93 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.577 1.151 . . . . 99.989999999999995 113.593 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 93.6 m-85 -99.01 152.17 20.11 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.182 1.178 . . . . 99.989999999999995 114.182 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.1 m -137.39 151.93 49.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 113.515 -1.675 . . . . 99.989999999999995 111.318 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -92.43 128.73 38.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.418 -0.956 . . . . 99.989999999999995 108.418 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p -80.9 17.67 1.15 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.897 1.443 . . . . 99.989999999999995 114.897 174.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -42.99 2.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 99.989999999999995 114.821 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -126.13 9.75 7.43 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.314 -0.995 . . . . 99.989999999999995 108.314 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.79 28.71 3.8 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.45 2.759 . . . . 99.989999999999995 118.45 -176.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -64.08 158.29 23.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.973 1.309 . . . . 99.989999999999995 113.731 176.414 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.4 134.4 49.91 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.252 1.204 . . . . 99.989999999999995 114.252 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -167.49 109.53 0.63 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.633 1.573 . . . . 99.989999999999995 114.267 -178.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.52 75.2 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.288 -0.869 . . . . 99.989999999999995 113.133 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.7 p -83.4 122.96 29.18 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.777 1.275 . . . . 99.989999999999995 114.008 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.63 -36.18 56.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.109 -1.86 . . . . 99.989999999999995 114.839 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.21 -49.28 72.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.282 0.633 . . . . 99.989999999999995 112.472 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.22 74.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.35 -0.841 . . . . 99.989999999999995 111.926 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 HD13 ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -56.31 -57.91 10.25 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.012 0.925 . . . . 99.989999999999995 112.305 179.071 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.1 -53.29 43.57 Favored Glycine 0 N--CA 1.481 1.69 0 C-N-CA 123.71 0.671 . . . . 99.989999999999995 112.295 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.3 67.94 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-N 114.295 -0.953 . . . . 99.989999999999995 113.67 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.627 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.8 t60 -73.48 -41.38 63.21 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 99.989999999999995 109.56 -172.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 tpt -63.01 -29.88 71.17 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.02 0.748 . . . . 99.989999999999995 113.02 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.2 -39.36 86.29 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.862 0.865 . . . . 99.989999999999995 112.631 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -67.81 -11.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.08 1.141 . . . . 99.989999999999995 114.08 174.572 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -96.52 -73.05 0.61 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.576 0.751 . . . . 99.989999999999995 109.585 172.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.46 44.47 13.08 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.937 1.351 . . . . 99.989999999999995 113.118 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 53.16 60.0 4.05 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 116.066 1.876 . . . . 99.989999999999995 116.066 -171.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.09 -71.33 0.08 Allowed 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 115.168 -0.924 . . . . 99.989999999999995 113.316 170.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -173.29 151.88 2.12 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.068 1.347 . . . . 99.989999999999995 109.746 176.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.25 140.54 40.1 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.764 0.825 . . . . 99.989999999999995 112.285 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -148.57 174.76 11.79 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.833 1.253 . . . . 99.989999999999995 112.887 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.453 ' HB3' ' H ' ' A' ' 36' ' ' ARG . 4.2 mm? 64.36 -161.24 0.28 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.692 1.997 . . . . 99.989999999999995 113.059 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' H ' ' HB3' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -62.81 135.58 57.41 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.169 0.588 . . . . 99.989999999999995 110.496 175.143 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.68 91.35 0.07 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.091 1.357 . . . . 99.989999999999995 114.381 -176.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.867 0 O-C-N 120.328 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.8 p . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -118.78 143.93 46.61 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.31 172.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.676 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.4 m -127.76 139.34 52.73 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 113.106 -1.861 . . . . 0.0 110.052 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.6 t -76.87 128.94 35.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 p -82.66 23.68 0.78 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.85 -54.56 1.83 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.702 1.201 . . . . 0.0 112.684 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -112.95 3.56 16.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.57 28.1 13.4 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 119.008 2.966 . . . . 0.0 119.008 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.676 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -62.68 154.35 29.59 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.68 130.52 56.4 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.939 -1.028 . . . . 0.0 113.028 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -165.59 109.01 0.82 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 114.435 -1.257 . . . . 0.0 114.2 176.196 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 18.4 ptt-85 -64.03 -26.91 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 168.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 p -89.48 124.18 34.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.776 1.274 . . . . 0.0 113.646 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.89 -34.0 58.17 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.429 -1.714 . . . . 0.0 114.262 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.96 -49.15 66.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.857 1.263 . . . . 0.0 112.107 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.77 61.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.695 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -58.05 8.95 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.226 1.011 . . . . 0.0 112.388 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.37 -53.47 42.93 Favored Glycine 0 N--CA 1.481 1.651 0 C-N-CA 123.77 0.7 . . . . 0.0 112.475 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -59.67 -29.75 67.65 Favored Glycine 0 CA--C 1.54 1.609 0 CA-C-N 114.286 -0.957 . . . . 0.0 113.604 175.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.4 t60 -73.05 -41.53 64.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -172.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.42 72.63 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 27.5 t-20 -58.28 -43.77 88.15 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.301 1.041 . . . . 0.0 112.583 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.06 -23.35 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.445 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 69.9 m-85 -117.02 146.8 42.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.987 -1.006 . . . . 0.0 113.617 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.688 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 26.8 m -137.39 142.01 41.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 113.246 -1.797 . . . . 0.0 111.213 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.8 t -82.22 129.91 34.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -83.07 23.47 0.86 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -50.53 1.77 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.338 1.055 . . . . 0.0 113.394 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.52 5.74 13.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -177.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 40.57 22.09 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.688 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.3 mmt180 -74.78 157.32 35.39 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.068 1.347 . . . . 0.0 113.532 176.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.51 131.71 53.48 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -177.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.67 101.66 0.32 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.866 1.666 . . . . 0.0 114.502 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' NH2' ' HB3' ' A' ' 17' ' ' SER . 0.0 OUTLIER -63.46 -23.44 67.4 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.656 -1.278 . . . . 0.0 114.181 171.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.487 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 35.5 p -84.57 123.48 30.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.082 1.353 . . . . 0.0 114.056 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.65 -34.73 52.94 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 113.762 -1.563 . . . . 0.0 114.427 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -52.35 -43.59 64.73 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.691 1.196 . . . . 0.0 113.99 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.12 5.95 50.42 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 -57.93 2.0 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.823 0.849 . . . . 0.0 109.854 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.45 62.42 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.534 0.588 . . . . 0.0 112.202 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.45 -32.43 72.9 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 114.357 -0.922 . . . . 0.0 113.666 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.639 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -72.87 -41.14 65.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -33.44 70.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.899 174.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.03 -38.97 88.0 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -63.31 -26.38 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.45 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.128 0.571 . . . . 0.0 109.567 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 9.9 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 121.067 0.461 . . . . 0.0 111.534 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 74.9 m-85 -114.97 152.7 31.93 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.2 1.0 . . . . 0.0 113.648 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.637 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.9 m -137.86 145.16 41.86 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.866 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.6 t -84.6 127.8 34.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -82.43 29.03 0.44 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.96 -50.83 1.03 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.517 -1.22 . . . . 0.0 113.421 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.23 5.81 14.85 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt 55.01 28.32 10.55 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.637 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -64.92 155.14 35.33 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.524 1.13 . . . . 0.0 113.747 175.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.16 133.35 55.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.217 -0.902 . . . . 0.0 112.842 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.28 109.04 0.36 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.111 1.364 . . . . 0.0 114.191 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 17.7 ptp180 -63.01 -28.98 70.48 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 169.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 p -89.04 125.68 35.1 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.527 1.156 . . . . 0.0 114.01 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.65 44.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 113.542 -1.663 . . . . 0.0 115.029 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.15 -48.0 68.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 174.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.56 -10.68 59.73 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -59.4 2.2 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.442 1.097 . . . . 0.0 110.795 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.11 -51.2 57.25 Favored Glycine 0 N--CA 1.48 1.62 0 C-N-CA 123.766 0.698 . . . . 0.0 112.33 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -31.81 69.28 Favored Glycine 0 CA--C 1.539 1.572 0 CA-C-N 114.214 -0.993 . . . . 0.0 113.506 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.601 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.3 t60 -72.28 -41.88 66.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -32.48 72.66 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.64 -42.45 88.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.754 0.822 . . . . 0.0 112.823 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.67 -23.4 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 175.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.453 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.9 m-70 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 121.311 0.577 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 67.4 m-85 -111.78 147.38 35.81 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.781 171.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.593 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 13.5 m -133.97 146.71 50.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 113.08 -1.873 . . . . 0.0 110.805 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.3 t -85.75 130.1 34.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 p -80.21 14.53 1.88 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -50.75 2.66 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 p -115.73 6.6 14.47 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.53 33.74 14.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -177.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -66.48 160.55 24.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.786 1.235 . . . . 0.0 113.932 176.784 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.33 131.31 53.04 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.08 109.35 0.47 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.261 1.424 . . . . 0.0 114.56 178.695 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -61.39 -33.44 73.67 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.583 -0.698 . . . . 0.0 112.703 167.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 p -84.47 128.36 34.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.2 -42.87 61.19 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 112.797 -2.002 . . . . 0.0 114.428 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -50.48 -43.14 55.41 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.21 29.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.941 0.776 . . . . 0.0 112.433 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -61.54 2.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.828 0.851 . . . . 0.0 112.904 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.47 -51.25 57.53 Favored Glycine 0 N--CA 1.482 1.76 0 C-N-CA 123.715 0.674 . . . . 0.0 112.82 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.54 -28.64 67.94 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.349 -0.926 . . . . 0.0 113.656 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.615 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -172.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -33.43 71.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.839 173.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -58.98 -41.86 88.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.952 0.901 . . . . 0.0 112.725 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 24' ' ' HIS . 2.2 p -63.38 -25.83 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 13.7 p . . . . . 0 N--CA 1.472 0.671 0 CA-C-O 121.592 0.71 . . . . 0.0 111.767 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 59.3 m-85 -108.84 148.5 30.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.799 -1.091 . . . . 0.0 113.125 173.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.723 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 66.7 m -136.65 142.24 43.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.446 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.452 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.5 t -80.99 129.74 34.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -82.44 21.22 0.98 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -50.14 2.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.346 1.058 . . . . 0.0 113.351 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -116.79 4.93 13.01 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.73 46.03 24.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.723 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.1 mmt180 -82.35 154.3 25.34 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.249 -1.341 . . . . 0.0 113.638 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -115.91 134.63 54.78 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.53 108.31 0.33 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.078 1.351 . . . . 0.0 113.898 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.515 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 2.9 mpt_? -61.05 -34.74 75.35 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.946 0.879 . . . . 0.0 111.701 168.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 29.7 p -83.58 122.44 28.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.453 1.501 . . . . 0.0 114.372 -173.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.37 -33.73 44.52 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.597 -1.638 . . . . 0.0 114.725 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 1.0 OUTLIER -55.7 -37.84 68.9 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.33 -24.31 22.03 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.731 -1.122 . . . . 0.0 113.122 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -57.94 3.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.843 0.857 . . . . 0.0 112.431 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.77 52.84 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 123.711 0.672 . . . . 0.0 112.388 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -29.77 65.57 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 113.853 -1.173 . . . . 0.0 113.715 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.643 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.1 t60 -74.24 -40.74 62.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -172.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -35.19 73.07 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.694 174.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.78 -39.41 80.99 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.4 p -64.0 -25.5 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 175.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 123.431 0.693 . . . . 0.0 109.521 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 p . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -98.82 148.58 23.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.543 1.152 . . . . 0.0 112.436 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 82.0 m -135.33 141.51 45.62 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.261 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.9 t -77.98 129.12 34.91 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 p -81.14 19.58 0.9 Allowed 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -51.37 2.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.225 1.01 . . . . 0.0 113.706 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -115.48 4.43 14.26 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 56.07 26.94 10.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.632 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -70.58 150.65 45.86 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.95 136.18 54.22 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -173.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.33 117.8 0.75 Allowed 'General case' 0 N--CA 1.484 1.258 0 O-C-N 125.156 1.535 . . . . 0.0 113.39 -179.218 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.91 -39.65 93.85 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.615 0.722 . . . . 0.0 112.002 167.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -76.92 122.07 24.34 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -173.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.3 47.94 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 113.34 -1.755 . . . . 0.0 114.343 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -54.57 -47.16 73.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.178 0.991 . . . . 0.0 112.63 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.93 -45.1 62.34 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.179 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -59.47 4.81 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.256 1.022 . . . . 0.0 112.698 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -52.58 49.85 Favored Glycine 0 N--CA 1.48 1.619 0 C-N-CA 123.734 0.683 . . . . 0.0 112.439 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.45 64.97 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 114.199 -1.001 . . . . 0.0 113.656 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.621 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.3 t60 -74.59 -40.47 61.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -173.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -34.52 73.68 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.542 174.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.66 -37.27 75.61 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.683 0.793 . . . . 0.0 113.062 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.51 -21.2 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 174.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 . . . . . 0 N--CA 1.453 -0.319 0 C-N-CA 123.618 0.767 . . . . 0.0 109.653 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -119.5 149.11 42.43 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.504 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.683 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 57.9 m -136.37 142.11 43.75 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.725 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.5 t -81.15 129.25 34.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -81.32 20.51 0.85 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.2 -52.42 2.07 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.249 1.02 . . . . 0.0 113.321 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.9 p -114.91 7.89 15.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? 52.01 35.66 16.66 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.308 1.843 . . . . 0.0 115.689 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.683 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -75.14 153.99 37.95 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.31 131.78 54.4 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -177.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.12 113.64 1.22 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.218 1.407 . . . . 0.0 113.886 -178.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.68 -25.7 66.68 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -95.55 126.2 40.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.509 1.123 . . . . 0.0 113.635 -174.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.42 -34.69 58.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.721 -1.581 . . . . 0.0 114.394 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -54.62 -37.27 65.42 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.189 1.396 . . . . 0.0 112.731 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.56 5.21 46.08 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.18 -58.19 1.94 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.901 0.88 . . . . 0.0 109.915 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.25 -51.44 55.96 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.489 0.566 . . . . 0.0 112.061 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.79 65.58 Favored Glycine 0 CA--C 1.54 1.648 0 CA-C-N 114.094 -1.053 . . . . 0.0 113.868 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.618 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.4 t60 -74.25 -40.06 62.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -174.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -36.01 73.91 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.501 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.6 -38.39 74.83 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.438 0.695 . . . . 0.0 112.795 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -65.4 -20.95 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 175.773 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.421 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 123.416 0.686 . . . . 0.0 109.617 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.9 p . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -122.28 147.16 46.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.27 1.033 . . . . 0.0 111.792 170.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 95.0 m -128.51 144.81 51.21 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 112.868 -1.969 . . . . 0.0 108.931 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.8 t -82.6 131.22 35.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 173.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 p -80.73 14.06 2.31 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.57 -49.1 2.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -117.45 7.78 12.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 21.17 4.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.611 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -61.22 152.52 28.65 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.607 1.163 . . . . 0.0 112.94 177.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.67 135.44 54.97 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.55 113.26 0.61 Allowed 'General case' 0 N--CA 1.483 1.213 0 O-C-N 125.308 1.63 . . . . 0.0 113.192 178.336 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 64.6 ttt-85 -67.75 -34.86 77.66 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.605 -0.684 . . . . 0.0 112.292 170.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 19.5 p -75.35 115.24 14.79 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.727 1.211 . . . . 0.0 113.783 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.86 -36.13 11.52 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.404 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 0.7 OUTLIER -54.07 -46.94 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.069 1.136 . . . . 0.0 114.069 173.645 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.26 -26.81 60.44 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.9 -1.045 . . . . 0.0 113.324 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -61.1 1.92 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.776 1.231 . . . . 0.0 111.771 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.16 -51.81 51.52 Favored Glycine 0 N--CA 1.481 1.672 0 C-N-CA 124.036 0.826 . . . . 0.0 112.796 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -30.13 67.24 Favored Glycine 0 CA--C 1.54 1.643 0 CA-C-N 114.066 -1.067 . . . . 0.0 113.487 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.4 t60 -72.45 -42.07 65.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -172.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -34.08 73.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.342 175.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.78 -39.69 81.79 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -64.13 -25.9 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 174.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 . . . . . 0 N--CA 1.451 -0.376 0 C-N-CA 123.814 0.846 . . . . 0.0 109.688 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.1 m-85 -118.85 146.22 45.04 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.581 -1.19 . . . . 0.0 113.403 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.5 m -135.26 148.77 49.66 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.252 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -91.62 125.2 36.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -76.79 21.4 0.21 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 -45.68 2.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -122.48 8.83 9.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -176.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.09 43.92 11.29 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 117.19 2.293 . . . . 0.0 117.19 -174.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.596 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.7 mmt180 -74.81 161.38 29.64 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -124.72 132.23 53.4 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -172.48 97.23 0.15 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -57.68 -29.96 65.06 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.925 -1.11 . . . . 0.0 112.332 170.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -81.22 120.74 25.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.95 1.3 . . . . 0.0 114.249 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.73 -33.48 48.21 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.793 -1.549 . . . . 0.0 114.449 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -42.66 55.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.902 1.681 . . . . 0.0 112.361 174.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.61 -24.55 19.52 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.461 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -60.14 2.54 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.782 0.833 . . . . 0.0 112.123 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.56 -50.34 63.61 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 123.709 0.671 . . . . 0.0 112.716 -176.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -31.18 68.24 Favored Glycine 0 CA--C 1.54 1.61 0 CA-C-N 114.228 -0.986 . . . . 0.0 113.722 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.7 t60 -73.89 -38.94 64.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -172.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -33.68 72.46 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 173.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -58.08 -44.65 87.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.655 0.782 . . . . 0.0 112.2 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -60.25 -26.34 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 176.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 82.2 m-85 -107.5 147.98 29.8 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.41 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 51.8 m -134.22 144.39 48.4 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.625 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 40.4 t -85.34 126.54 33.82 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 p -81.05 24.97 0.48 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.17 -51.08 1.66 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.633 1.173 . . . . 0.0 113.344 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -117.32 4.48 12.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 51.71 37.97 21.6 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 -175.619 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.652 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.6 OUTLIER -69.97 156.93 38.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.229 1.411 . . . . 0.0 113.781 175.198 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -121.23 133.14 55.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.71 105.39 0.35 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 178.416 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -62.57 -27.12 68.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 167.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -88.47 120.7 30.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.793 1.237 . . . . 0.0 113.314 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.87 28.73 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 113.953 -1.476 . . . . 0.0 114.778 176.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -54.76 -39.39 68.3 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.91 1.284 . . . . 0.0 113.422 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.82 3.8 53.4 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.76 -60.68 1.48 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.165 0.986 . . . . 0.0 110.064 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.45 63.45 Favored Glycine 0 N--CA 1.483 1.786 0 C-N-CA 123.545 0.593 . . . . 0.0 112.054 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.34 -32.23 63.69 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 113.851 -1.175 . . . . 0.0 113.409 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.623 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.3 t60 -73.28 -44.72 58.73 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.09 69.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.94 -38.46 82.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.2 p -67.27 -16.7 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 124.258 1.023 . . . . 0.0 109.555 174.354 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.591 0.234 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 66.0 m-85 -119.2 151.76 37.8 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.174 0.921 . . . . 0.0 113.483 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 97.3 m -141.01 142.53 34.24 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.755 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.692 ' CB ' ' HE1' ' A' ' 24' ' ' HIS . 20.7 t -78.94 138.86 38.28 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -87.4 14.32 8.26 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.67 -48.95 2.66 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -114.96 -1.46 13.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 54.89 29.55 12.27 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -175.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.616 ' O ' ' HA ' ' A' ' 7' ' ' THR . 5.5 mtp85 -66.32 153.36 42.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -121.53 131.1 53.95 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -163.94 112.73 1.2 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 113.967 -1.47 . . . . 0.0 112.907 -177.193 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -46.99 88.05 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.676 -0.64 . . . . 0.0 111.319 168.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 p -68.63 116.42 9.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.756 1.222 . . . . 0.0 114.239 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.86 -35.56 6.5 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 173.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.7 -42.54 71.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.151 0.98 . . . . 0.0 113.558 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.49 3.94 52.49 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 -58.01 1.95 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.39 1.076 . . . . 0.0 109.736 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.98 59.2 Favored Glycine 0 N--CA 1.481 1.658 0 C-N-CA 123.651 0.643 . . . . 0.0 112.084 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -30.84 68.09 Favored Glycine 0 CA--C 1.54 1.627 0 CA-C-N 114.302 -0.949 . . . . 0.0 113.652 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.755 ' CE1' ' HE2' ' A' ' 28' ' ' HIS . 7.6 t-80 -72.89 -41.22 64.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -173.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.85 72.83 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 174.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.52 -42.34 82.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.637 0.775 . . . . 0.0 112.739 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.9 p -62.76 -26.91 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.755 ' HE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 72.4 m-85 -112.0 148.78 33.07 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.99 173.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 86.8 m -136.27 141.36 43.88 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.259 -1.791 . . . . 0.0 109.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.0 t -80.75 124.82 29.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -75.22 27.55 0.1 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 171.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.08 -50.27 0.95 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.3 p -116.3 5.78 13.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 51.88 33.67 11.97 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.807 2.521 . . . . 0.0 117.807 -175.415 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -74.23 152.76 39.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.236 1.014 . . . . 0.0 113.285 178.037 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.74 133.24 55.99 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.349 -0.842 . . . . 0.0 113.192 -173.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.98 104.99 0.23 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 125.102 1.501 . . . . 0.0 114.132 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.37 -29.68 69.08 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 169.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.1 p -85.45 123.74 31.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.661 1.185 . . . . 0.0 113.876 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -35.65 34.74 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.603 -1.635 . . . . 0.0 114.565 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.45 -45.96 62.87 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.805 1.242 . . . . 0.0 113.235 174.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.63 -1.58 57.41 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -58.55 2.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.888 0.875 . . . . 0.0 110.309 178.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.3 -51.9 53.12 Favored Glycine 0 N--CA 1.483 1.819 0 C-N-CA 123.628 0.633 . . . . 0.0 112.025 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.37 -30.03 64.12 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 113.899 -1.151 . . . . 0.0 113.817 173.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.0 t60 -74.17 -41.35 61.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -174.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.65 -30.49 71.41 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.71 -39.54 81.07 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.774 0.83 . . . . 0.0 112.649 172.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.44 -14.43 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 175.163 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.3 m-70 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 123.473 0.709 . . . . 0.0 109.606 173.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.15 147.38 36.25 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.876 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 3.1 m -131.94 145.68 51.64 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 112.799 -2.001 . . . . 0.0 111.34 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.89 123.39 31.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -77.09 32.42 0.14 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 172.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.46 -50.38 0.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.902 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.7 p -118.48 10.02 12.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.02 43.19 25.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 118.964 -2.335 . . . . 0.0 115.491 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.627 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.97 159.33 24.92 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.107 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 133.12 52.17 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.81 111.11 0.44 Allowed 'General case' 0 N--CA 1.486 1.331 0 O-C-N 125.005 1.441 . . . . 0.0 113.67 178.456 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.83 -36.07 83.16 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 121.565 -0.709 . . . . 0.0 112.024 169.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 p -77.91 125.39 29.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.08 1.352 . . . . 0.0 114.531 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.78 60.72 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 113.613 -1.63 . . . . 0.0 114.484 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -53.78 -45.18 70.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.292 1.437 . . . . 0.0 112.371 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.34 -11.11 55.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -59.22 2.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.164 0.986 . . . . 0.0 110.854 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.44 61.11 Favored Glycine 0 N--CA 1.48 1.613 0 C-N-CA 123.754 0.692 . . . . 0.0 112.433 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -59.65 -31.41 71.06 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-N 114.073 -1.063 . . . . 0.0 113.593 173.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.602 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.2 t60 -73.55 -40.42 63.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -173.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -28.16 69.39 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 173.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 25.0 t-20 -61.46 -44.18 97.56 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 124.189 0.93 . . . . 0.0 111.955 173.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.6 p -64.14 -23.0 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 176.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.406 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 41.7 m . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 121.15 0.5 . . . . 0.0 112.107 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -95.0 149.0 21.73 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.045 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 4.9 m -130.24 149.04 52.11 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 113.154 -1.839 . . . . 0.0 110.901 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -89.74 124.26 34.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -77.74 27.42 0.17 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -49.7 1.39 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.923 0.889 . . . . 0.0 113.272 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.29 8.38 12.24 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? 54.04 28.18 8.46 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.58 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.9 mmt180 -64.05 159.37 20.35 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 176.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.84 133.14 49.37 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.863 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.08 106.93 0.51 Allowed 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.345 1.653 . . . . 0.0 113.781 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.55 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 36.2 ptt85 -63.88 -24.85 67.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 171.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 p -93.34 125.05 37.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 122.581 1.181 . . . . 0.0 113.541 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.58 46.42 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.586 -1.643 . . . . 0.0 115.417 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -55.42 -41.27 72.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.874 0.87 . . . . 0.0 113.13 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.39 -2.22 58.48 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -58.85 1.89 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.275 1.03 . . . . 0.0 110.085 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.21 62.79 Favored Glycine 0 N--CA 1.484 1.844 0 C-N-CA 123.579 0.609 . . . . 0.0 112.203 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.91 -30.0 68.88 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 114.344 -0.928 . . . . 0.0 113.723 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.6 t60 -74.84 -38.02 62.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -173.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -34.01 72.67 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 171.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.892 0.877 . . . . 0.0 113.078 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.9 OUTLIER -68.45 -24.43 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 172.135 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p . . . . . 0 N--CA 1.486 1.374 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 78.8 m-85 -112.07 152.03 28.69 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 122.232 1.015 . . . . 0.0 112.889 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.1 m -133.48 152.04 51.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.629 -2.078 . . . . 0.0 109.559 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 44.2 t -91.21 130.26 37.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -84.58 23.46 1.14 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.94 -48.21 1.89 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.795 -1.093 . . . . 0.0 113.051 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.0 p -119.51 6.87 11.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 49.06 36.32 8.5 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 117.318 2.34 . . . . 0.0 117.318 -176.357 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 7' ' ' THR . 11.1 ttt180 -74.99 159.37 31.87 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.655 0.782 . . . . 0.0 112.354 177.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.75 135.3 54.94 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.938 0.895 . . . . 0.0 113.311 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -171.44 109.88 0.29 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.447 1.499 . . . . 0.0 114.396 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 ptt-85 -65.97 -30.51 71.08 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 168.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 p -79.4 118.33 21.19 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.582 1.182 . . . . 0.0 113.646 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -33.4 37.48 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.775 -1.557 . . . . 0.0 114.087 173.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -47.86 62.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.511 1.525 . . . . 0.0 111.739 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -43.9 39.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 0.0 112.63 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -58.13 9.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.441 1.097 . . . . 0.0 112.733 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.63 -53.74 41.51 Favored Glycine 0 N--CA 1.482 1.753 0 C-N-CA 123.606 0.622 . . . . 0.0 112.367 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -28.99 64.67 Favored Glycine 0 CA--C 1.54 1.603 0 CA-C-N 114.049 -1.076 . . . . 0.0 113.761 175.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.619 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -72.7 -40.21 66.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -173.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.23 -28.95 70.09 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -59.69 -40.95 89.57 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.82 0.848 . . . . 0.0 112.529 171.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.98 -16.27 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 172.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 70.9 m-85 -118.93 145.99 45.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 114.31 -1.313 . . . . 0.0 112.071 171.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.598 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 91.4 m -132.84 146.76 52.1 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.588 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 40.0 t -84.84 129.48 34.81 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 176.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -80.93 19.1 0.9 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.16 -49.53 2.06 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.162 0.985 . . . . 0.0 113.576 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.8 p -116.8 4.9 13.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' CYS 0.255 0.5 OUTLIER 49.79 32.97 5.76 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.201 2.667 . . . . 0.0 118.201 -175.649 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.598 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.5 mmt180 -65.71 155.1 37.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.299 1.44 . . . . 0.0 113.141 173.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.42 132.66 54.47 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.904 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.61 103.28 0.42 Allowed 'General case' 0 N--CA 1.486 1.346 0 O-C-N 125.418 1.699 . . . . 0.0 114.554 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -60.94 -26.82 67.77 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 168.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -88.11 128.02 35.42 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.395 1.093 . . . . 0.0 113.945 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -39.18 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.609 -1.632 . . . . 0.0 114.884 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -52.04 -47.95 64.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.904 1.281 . . . . 0.0 112.726 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.71 -14.72 58.55 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -60.87 1.88 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.499 1.12 . . . . 0.0 111.013 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.87 -50.97 58.36 Favored Glycine 0 N--CA 1.482 1.708 0 C-N-CA 123.805 0.717 . . . . 0.0 112.508 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.07 66.43 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-N 114.031 -1.085 . . . . 0.0 113.527 174.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.632 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -73.89 -41.51 62.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -173.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.86 73.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.875 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -57.97 -37.09 73.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.5 p -67.58 -25.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 175.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 123.96 0.904 . . . . 0.0 109.541 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 80.8 m-85 -122.14 148.31 45.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.993 -1.003 . . . . 0.0 113.156 170.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 54.8 m -133.28 145.22 50.28 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.202 -1.817 . . . . 0.0 110.189 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.3 t -82.79 130.16 35.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p -83.26 22.17 1.04 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.02 -49.58 1.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.255 1.022 . . . . 0.0 113.577 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.0 p -117.13 6.13 12.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? 55.63 23.95 6.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.61 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -66.4 154.35 40.36 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.155 0.982 . . . . 0.0 113.432 178.317 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.56 135.93 54.94 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.68 110.14 0.36 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.788 1.635 . . . . 0.0 113.462 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.317 -0.865 . . . . 0.0 112.801 169.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.7 p -79.2 125.45 29.47 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.57 -40.67 65.81 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.376 -1.738 . . . . 0.0 114.336 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.09 -53.65 6.2 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.65 -45.65 64.73 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.215 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -58.95 5.56 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.131 0.972 . . . . 0.0 112.448 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.78 -54.22 38.18 Favored Glycine 0 N--CA 1.481 1.692 0 C-N-CA 123.622 0.629 . . . . 0.0 112.348 -176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.46 -28.97 65.64 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 114.018 -1.091 . . . . 0.0 113.589 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.637 ' O ' HG12 ' A' ' 27' ' ' VAL . 37.6 t60 -72.36 -43.22 64.33 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -173.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 tpt -65.15 -28.22 69.26 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.84 -39.12 84.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.087 0.955 . . . . 0.0 113.152 170.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.1 p -66.76 -22.61 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.457 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.7 m-70 . . . . . 0 N--CA 1.453 -0.321 0 C-N-CA 123.717 0.807 . . . . 0.0 109.6 173.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 68.4 m-85 -111.01 146.6 36.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.783 170.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.665 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 36.7 m -137.64 143.33 41.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.599 -1.637 . . . . 0.0 111.272 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.4 t -82.5 129.94 35.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.2 p -82.14 19.82 1.12 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.29 -50.47 2.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.278 1.031 . . . . 0.0 113.393 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -117.28 4.6 12.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 51.53 38.25 21.75 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 -175.141 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.665 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -70.49 155.86 40.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.141 1.376 . . . . 0.0 113.304 175.78 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.86 128.58 49.7 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.35 105.82 0.88 Allowed 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 123.289 1.518 . . . . 0.0 114.821 -179.184 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -60.26 -25.6 65.81 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.376 -1.283 . . . . 0.0 113.509 168.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.465 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 59.2 p -100.09 126.49 46.33 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.481 1.112 . . . . 0.0 113.874 -173.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.54 -34.53 58.53 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 113.728 -1.578 . . . . 0.0 114.829 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.465 ' HG2' ' HB2' ' A' ' 17' ' ' SER . 9.4 pt20 -51.7 -40.38 60.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.833 1.253 . . . . 0.0 113.707 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.56 9.35 42.64 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.55 -59.0 1.78 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.946 0.898 . . . . 0.0 109.427 177.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.35 57.54 Favored Glycine 0 N--CA 1.481 1.681 0 C-N-CA 123.418 0.532 . . . . 0.0 111.87 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.53 66.44 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.988 -1.106 . . . . 0.0 113.705 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.616 ' O ' HG12 ' A' ' 27' ' ' VAL . 38.5 t60 -73.18 -40.99 64.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -174.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.33 -30.93 71.51 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 175.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -60.07 -36.59 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.54 0.736 . . . . 0.0 112.908 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -68.88 -14.56 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.226 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 . . . . . 0 N--CA 1.453 -0.302 0 C-N-CA 123.421 0.688 . . . . 0.0 109.571 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -101.27 145.83 28.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 113.885 -1.507 . . . . 0.0 111.43 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 96.9 m -132.23 145.4 51.3 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.193 -1.821 . . . . 0.0 109.607 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 42.0 t -83.75 135.94 34.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -82.57 7.39 14.7 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.22 -42.83 4.06 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -123.96 2.95 8.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 52.19 31.45 9.15 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 118.412 2.745 . . . . 0.0 118.412 -174.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.63 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mmt-85 -63.62 150.8 43.32 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 172.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -118.67 135.23 54.58 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.439 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -163.17 127.11 2.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.815 1.322 . . . . 0.0 113.746 178.038 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.6 ttt-85 -97.53 61.2 1.63 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.386 1.089 . . . . 0.0 110.946 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -168.89 138.74 2.27 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.661 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.36 74.86 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.719 -1.582 . . . . 0.0 113.048 173.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -58.62 -53.33 59.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.405 1.082 . . . . 0.0 111.882 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.84 87.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 175.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -57.86 10.28 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.333 1.053 . . . . 0.0 112.372 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -52.23 52.14 Favored Glycine 0 N--CA 1.48 1.626 0 C-N-CA 124.005 0.812 . . . . 0.0 112.47 -176.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -60.04 -28.87 67.01 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 114.285 -0.957 . . . . 0.0 113.418 175.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.589 ' O ' HG12 ' A' ' 27' ' ' VAL . 54.5 t60 -74.99 -42.17 58.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -32.59 72.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.493 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 23.5 t-20 -55.72 -46.04 77.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 117.839 -1.076 . . . . 0.0 111.995 173.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -63.52 -22.43 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 178.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 172.006 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 93.6 m-85 -99.01 152.17 20.11 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.1 m -137.39 151.93 49.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.318 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -92.43 128.73 38.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p -80.9 17.67 1.15 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 174.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -42.99 2.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -126.13 9.75 7.43 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.79 28.71 3.8 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 -176.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.545 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -64.08 158.29 23.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.973 1.309 . . . . 0.0 113.731 176.414 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.4 134.4 49.91 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -167.49 109.53 0.63 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.633 1.573 . . . . 0.0 114.267 -178.837 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.52 75.2 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.288 -0.869 . . . . 0.0 113.133 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.7 p -83.4 122.96 29.18 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.777 1.275 . . . . 0.0 114.008 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.63 -36.18 56.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.109 -1.86 . . . . 0.0 114.839 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.21 -49.28 72.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.282 0.633 . . . . 0.0 112.472 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.22 74.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.926 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -57.91 10.25 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.012 0.925 . . . . 0.0 112.305 179.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.1 -53.29 43.57 Favored Glycine 0 N--CA 1.481 1.69 0 C-N-CA 123.71 0.671 . . . . 0.0 112.295 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.3 67.94 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-N 114.295 -0.953 . . . . 0.0 113.67 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.627 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.8 t60 -73.48 -41.38 63.21 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -172.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 tpt -63.01 -29.88 71.17 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.2 -39.36 86.29 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.862 0.865 . . . . 0.0 112.631 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -67.81 -11.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 174.572 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 123.576 0.751 . . . . 0.0 109.585 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.469 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -120.08 145.41 39.89 Favored Pre-proline 0 N--CA 1.482 1.172 1 C-N-CA 109.564 -4.854 . . . . 0.0 113.267 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -66.79 155.96 68.19 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.798 2.332 . . . . 0.0 112.07 172.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -67.15 -170.94 0.26 Allowed 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.793 2.329 . . . . 0.0 112.051 171.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 60.98 83.75 0.14 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.801 1.64 . . . . 0.0 113.315 -171.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.8 p 55.52 162.49 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 111.858 -2.428 . . . . 0.0 112.509 -169.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -118.78 143.93 46.61 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.31 172.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.676 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.4 m -127.76 139.34 52.73 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 113.106 -1.861 . . . . 0.0 110.052 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.6 t -76.87 128.94 35.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 p -82.66 23.68 0.78 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.85 -54.56 1.83 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.702 1.201 . . . . 0.0 112.684 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -112.95 3.56 16.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.57 28.1 13.4 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 119.008 2.966 . . . . 0.0 119.008 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.676 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -62.68 154.35 29.59 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.68 130.52 56.4 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.939 -1.028 . . . . 0.0 113.028 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -165.59 109.01 0.82 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 114.435 -1.257 . . . . 0.0 114.2 176.196 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 18.4 ptt-85 -64.03 -26.91 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 168.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 p -89.48 124.18 34.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.776 1.274 . . . . 0.0 113.646 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.89 -34.0 58.17 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.429 -1.714 . . . . 0.0 114.262 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.96 -49.15 66.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.857 1.263 . . . . 0.0 112.107 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.77 61.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.695 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -58.05 8.95 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.226 1.011 . . . . 0.0 112.388 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.37 -53.47 42.93 Favored Glycine 0 N--CA 1.481 1.651 0 C-N-CA 123.77 0.7 . . . . 0.0 112.475 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -59.67 -29.75 67.65 Favored Glycine 0 CA--C 1.54 1.609 0 CA-C-N 114.286 -0.957 . . . . 0.0 113.604 175.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.4 t60 -73.05 -41.53 64.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -172.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.42 72.63 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 27.5 t-20 -58.28 -43.77 88.15 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.301 1.041 . . . . 0.0 112.583 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.06 -23.35 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.445 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 -81.51 -79.84 0.16 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 172.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 45.26 32.18 0.94 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -105.41 117.54 34.27 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 55.68 179.81 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 114.144 -1.389 . . . . 0.0 112.949 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.41 -51.39 0.43 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 29.89 87.22 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.9 2.48 . . . . 0.0 114.359 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 71.28 -38.49 0.42 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.787 2.035 . . . . 0.0 113.87 -173.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tt 66.72 -47.23 0.45 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 128.543 2.737 . . . . 0.0 113.563 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -157.84 -44.74 0.06 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.891 1.677 . . . . 0.0 112.297 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -156.51 149.71 24.24 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-O 116.857 -1.544 . . . . 0.0 113.303 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.924 0 CA-C-N 121.663 2.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 1.382 ' O ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.239 0.505 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 1.382 ' CD1' ' O ' ' A' ' 0' ' ' ACE . 67.6 p-90 159.02 139.91 0.0 OUTLIER Pre-proline 0 N--CA 1.479 1.019 1 C-N-CA 109.568 -4.853 . . . . 0.0 115.2 . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -67.58 145.12 69.17 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.854 2.369 . . . . 0.0 113.182 -177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -61.73 -22.72 75.03 Favored 'Trans proline' 0 N--CA 1.482 0.8 0 C-N-CA 123.301 2.667 . . . . 0.0 114.474 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.56 132.15 55.68 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.447 1.099 . . . . 0.0 110.162 173.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m 60.63 147.68 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.015 1.726 . . . . 0.0 114.839 -176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 69.9 m-85 -117.02 146.8 42.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.987 -1.006 . . . . 0.0 113.617 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.688 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 26.8 m -137.39 142.01 41.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 113.246 -1.797 . . . . 0.0 111.213 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.8 t -82.22 129.91 34.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -83.07 23.47 0.86 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -50.53 1.77 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.338 1.055 . . . . 0.0 113.394 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.52 5.74 13.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -177.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 40.57 22.09 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.688 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.3 mmt180 -74.78 157.32 35.39 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.068 1.347 . . . . 0.0 113.532 176.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.51 131.71 53.48 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -177.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.67 101.66 0.32 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.866 1.666 . . . . 0.0 114.502 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' NH2' ' HB3' ' A' ' 17' ' ' SER . 0.0 OUTLIER -63.46 -23.44 67.4 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.656 -1.278 . . . . 0.0 114.181 171.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.487 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 35.5 p -84.57 123.48 30.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.082 1.353 . . . . 0.0 114.056 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.65 -34.73 52.94 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 113.762 -1.563 . . . . 0.0 114.427 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -52.35 -43.59 64.73 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.691 1.196 . . . . 0.0 113.99 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.12 5.95 50.42 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 -57.93 2.0 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.823 0.849 . . . . 0.0 109.854 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.45 62.42 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.534 0.588 . . . . 0.0 112.202 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.45 -32.43 72.9 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 114.357 -0.922 . . . . 0.0 113.666 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.639 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -72.87 -41.14 65.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -33.44 70.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.899 174.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.03 -38.97 88.0 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -63.31 -26.38 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.45 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 -82.98 48.38 1.35 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.128 0.571 . . . . 0.0 109.567 177.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -171.73 92.16 0.14 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 127.218 2.207 . . . . 0.0 113.33 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -97.95 83.37 3.13 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.334 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -162.14 152.63 17.18 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 113.246 -1.797 . . . . 0.0 110.374 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 68.63 -78.01 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.12 1.768 . . . . 0.0 112.421 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.39 -90.5 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.726 1.61 . . . . 0.0 109.937 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -167.24 113.2 0.75 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.293 1.437 . . . . 0.0 107.424 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 64.87 162.06 0.13 Allowed 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 113.894 -1.503 . . . . 0.0 113.76 -172.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -65.96 144.81 56.53 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 114.401 -1.272 . . . . 0.0 111.609 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.1 tp -68.32 -38.12 81.26 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 117.177 -1.392 . . . . 0.0 113.246 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 121.487 1.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.44 ' O ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.238 0.467 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.419 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 2.7 p-90 -54.96 106.31 0.65 Allowed Pre-proline 0 CA--C 1.554 1.099 1 C-N-CA 109.512 -4.875 . . . . 0.0 114.614 . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 0' ' ' ACE . 72.7 Cg_endo -69.25 151.84 71.98 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.726 2.284 . . . . 0.0 111.577 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -57.64 -15.8 22.0 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.161 2.574 . . . . 0.0 116.138 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -108.65 29.27 7.58 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 9.9 t -170.28 150.88 3.69 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.19 0.996 . . . . 0.0 111.534 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 74.9 m-85 -114.97 152.7 31.93 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.2 1.0 . . . . 0.0 113.648 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.637 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.9 m -137.86 145.16 41.86 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.866 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.6 t -84.6 127.8 34.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -82.43 29.03 0.44 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.96 -50.83 1.03 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.517 -1.22 . . . . 0.0 113.421 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.23 5.81 14.85 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt 55.01 28.32 10.55 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.637 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -64.92 155.14 35.33 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.524 1.13 . . . . 0.0 113.747 175.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.16 133.35 55.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.217 -0.902 . . . . 0.0 112.842 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.28 109.04 0.36 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.111 1.364 . . . . 0.0 114.191 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 17.7 ptp180 -63.01 -28.98 70.48 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 169.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 p -89.04 125.68 35.1 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.527 1.156 . . . . 0.0 114.01 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.65 44.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 113.542 -1.663 . . . . 0.0 115.029 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.15 -48.0 68.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 174.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.56 -10.68 59.73 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -59.4 2.2 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.442 1.097 . . . . 0.0 110.795 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.11 -51.2 57.25 Favored Glycine 0 N--CA 1.48 1.62 0 C-N-CA 123.766 0.698 . . . . 0.0 112.33 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -31.81 69.28 Favored Glycine 0 CA--C 1.539 1.572 0 CA-C-N 114.214 -0.993 . . . . 0.0 113.506 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.601 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.3 t60 -72.28 -41.88 66.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -32.48 72.66 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.64 -42.45 88.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.754 0.822 . . . . 0.0 112.823 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.67 -23.4 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 175.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.453 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.9 m-70 -81.03 -83.67 0.11 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 172.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 160.01 103.45 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 128.157 2.583 . . . . 0.0 110.473 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.76 136.26 50.7 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.759 174.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -64.7 135.72 56.18 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.25 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.85 100.25 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 O-C-N 125.513 1.758 . . . . 0.0 112.689 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.8 137.54 51.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.677 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.436 HH11 ' HG3' ' A' ' 36' ' ' ARG . 5.4 ttt-85 -167.24 -50.06 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.851 1.344 . . . . 0.0 113.626 -176.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 tp 55.92 77.43 0.24 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 123.403 1.573 . . . . 0.0 111.905 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.436 ' HG3' HH11 ' A' ' 34' ' ' ARG . 0.0 OUTLIER -122.7 127.75 49.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 112.959 -1.928 . . . . 0.0 110.56 -171.722 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -129.77 -37.43 1.54 Allowed 'General case' 0 C--O 1.251 1.152 0 CA-C-O 117.199 -1.381 . . . . 0.0 113.316 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.893 0 CA-C-N 121.396 1.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.689 ' O ' ' O ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.485 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.689 ' O ' ' O ' ' A' ' 0' ' ' ACE . 30.5 m95 13.63 134.15 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.076 1 C-N-CA 109.525 -4.87 . . . . 0.0 112.424 . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -64.73 146.77 89.16 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.044 2.496 . . . . 0.0 112.18 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -74.29 73.57 3.86 Favored 'Trans proline' 0 N--CA 1.48 0.712 0 C-N-CA 122.814 2.343 . . . . 0.0 111.114 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.8 157.59 33.61 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.888 -172.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 p -75.12 141.47 43.74 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.209 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 67.4 m-85 -111.78 147.38 35.81 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.781 171.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.593 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 13.5 m -133.97 146.71 50.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 113.08 -1.873 . . . . 0.0 110.805 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.3 t -85.75 130.1 34.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 p -80.21 14.53 1.88 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -50.75 2.66 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 p -115.73 6.6 14.47 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.53 33.74 14.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -177.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -66.48 160.55 24.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.786 1.235 . . . . 0.0 113.932 176.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.33 131.31 53.04 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.08 109.35 0.47 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.261 1.424 . . . . 0.0 114.56 178.695 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -61.39 -33.44 73.67 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.583 -0.698 . . . . 0.0 112.703 167.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 p -84.47 128.36 34.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.2 -42.87 61.19 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 112.797 -2.002 . . . . 0.0 114.428 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -50.48 -43.14 55.41 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.21 29.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.941 0.776 . . . . 0.0 112.433 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -61.54 2.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.828 0.851 . . . . 0.0 112.904 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.47 -51.25 57.53 Favored Glycine 0 N--CA 1.482 1.76 0 C-N-CA 123.715 0.674 . . . . 0.0 112.82 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.54 -28.64 67.94 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.349 -0.926 . . . . 0.0 113.656 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.615 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -172.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -33.43 71.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.839 173.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -58.98 -41.86 88.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.952 0.901 . . . . 0.0 112.725 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 24' ' ' HIS . 2.2 p -63.38 -25.83 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 -82.33 48.07 1.23 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -173.86 83.51 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 125.878 1.671 . . . . 0.0 112.943 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -173.16 166.54 4.92 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 113.942 -1.481 . . . . 0.0 111.945 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.53 136.32 33.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.457 171.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.93 91.45 5.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.592 0.711 . . . . 0.0 110.471 -178.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.5 143.54 38.39 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 113.739 -1.573 . . . . 0.0 113.112 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -142.09 157.39 44.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.536 1.134 . . . . 0.0 112.086 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 tp 61.86 107.93 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.156 1.782 . . . . 0.0 114.221 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.57 89.08 2.99 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.74 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -167.3 155.7 9.62 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 113.168 -1.833 . . . . 0.0 114.592 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 121.618 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.789 ' H2 ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.468 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.789 ' CD1' ' H2 ' ' A' ' 0' ' ' ACE . 27.5 m95 -116.07 132.72 23.1 Favored Pre-proline 0 N--CA 1.484 1.24 1 C-N-CA 109.438 -4.905 . . . . 0.0 112.833 . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.97 146.11 90.84 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.94 2.427 . . . . 0.0 113.215 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.42 -6.12 16.77 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.497 2.798 . . . . 0.0 115.326 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 157.92 25.87 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.271 1.028 . . . . 0.0 113.494 175.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 13.7 p -66.92 142.21 57.37 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.767 173.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 59.3 m-85 -108.84 148.5 30.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.799 -1.091 . . . . 0.0 113.125 173.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.723 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 66.7 m -136.65 142.24 43.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.446 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.452 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.5 t -80.99 129.74 34.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -82.44 21.22 0.98 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -50.14 2.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.346 1.058 . . . . 0.0 113.351 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -116.79 4.93 13.01 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.73 46.03 24.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.723 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.1 mmt180 -82.35 154.3 25.34 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.249 -1.341 . . . . 0.0 113.638 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -115.91 134.63 54.78 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.53 108.31 0.33 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.078 1.351 . . . . 0.0 113.898 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 2.9 mpt_? -61.05 -34.74 75.35 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.946 0.879 . . . . 0.0 111.701 168.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 29.7 p -83.58 122.44 28.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.453 1.501 . . . . 0.0 114.372 -173.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.37 -33.73 44.52 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.597 -1.638 . . . . 0.0 114.725 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 1.0 OUTLIER -55.7 -37.84 68.9 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.33 -24.31 22.03 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.731 -1.122 . . . . 0.0 113.122 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -57.94 3.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.843 0.857 . . . . 0.0 112.431 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.77 52.84 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 123.711 0.672 . . . . 0.0 112.388 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -29.77 65.57 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 113.853 -1.173 . . . . 0.0 113.715 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.643 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.1 t60 -74.24 -40.74 62.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -172.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -35.19 73.07 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.694 174.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.78 -39.41 80.99 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.4 p -64.0 -25.5 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 175.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -84.02 50.01 1.75 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.431 0.693 . . . . 0.0 109.521 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -171.02 117.65 0.47 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.423 2.289 . . . . 0.0 108.903 171.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.614 ' HB2' HH11 ' A' ' 30' ' ' ARG . 1.2 ttm105 50.46 52.55 14.6 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 123.52 1.628 . . . . 0.0 113.354 174.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -169.24 146.1 3.48 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 113.781 -1.554 . . . . 0.0 109.221 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.17 89.61 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.246 0.966 . . . . 0.0 109.917 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -169.48 -82.5 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 113.753 -1.567 . . . . 0.0 113.007 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG2' HG21 ' A' ' 27' ' ' VAL . 0.6 OUTLIER 61.11 174.89 0.11 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.195 1.398 . . . . 0.0 112.847 -170.52 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 40.91 78.83 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.155 1.782 . . . . 0.0 113.785 176.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.9 121.59 44.42 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.88 -176.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp -59.7 147.02 39.19 Favored 'General case' 0 C--O 1.253 1.26 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 121.311 1.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.806 ' H2 ' ' CD2' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.239 0.51 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.806 ' CD2' ' H2 ' ' A' ' 0' ' ' ACE . 5.3 m-90 -146.45 146.33 26.91 Favored Pre-proline 0 N--CA 1.48 1.054 1 C-N-CA 109.575 -4.85 . . . . 0.0 114.294 . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -66.15 151.18 84.29 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.927 2.418 . . . . 0.0 111.668 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -71.95 32.41 0.26 Allowed 'Trans proline' 0 CA--C 1.546 1.123 0 C-N-CA 123.664 2.909 . . . . 0.0 115.565 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.469 ' HG2' ' H ' ' A' ' 5' ' ' SER . 20.2 ttt180 -101.51 -152.28 0.43 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.469 ' H ' ' HG2' ' A' ' 4' ' ' ARG . 46.3 p -65.42 128.65 36.74 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.387 0.675 . . . . 0.0 111.542 175.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -98.82 148.58 23.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.543 1.152 . . . . 0.0 112.436 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 82.0 m -135.33 141.51 45.62 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.261 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.9 t -77.98 129.12 34.91 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 p -81.14 19.58 0.9 Allowed 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -51.37 2.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.225 1.01 . . . . 0.0 113.706 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -115.48 4.43 14.26 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 56.07 26.94 10.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.632 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -70.58 150.65 45.86 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.95 136.18 54.22 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -173.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.33 117.8 0.75 Allowed 'General case' 0 N--CA 1.484 1.258 0 O-C-N 125.156 1.535 . . . . 0.0 113.39 -179.218 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.91 -39.65 93.85 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.615 0.722 . . . . 0.0 112.002 167.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -76.92 122.07 24.34 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -173.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.3 47.94 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 113.34 -1.755 . . . . 0.0 114.343 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -54.57 -47.16 73.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.178 0.991 . . . . 0.0 112.63 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.93 -45.1 62.34 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.179 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -59.47 4.81 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.256 1.022 . . . . 0.0 112.698 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -52.58 49.85 Favored Glycine 0 N--CA 1.48 1.619 0 C-N-CA 123.734 0.683 . . . . 0.0 112.439 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.45 64.97 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 114.199 -1.001 . . . . 0.0 113.656 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.621 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.3 t60 -74.59 -40.47 61.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -173.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -34.52 73.68 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.542 174.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.66 -37.27 75.61 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.683 0.793 . . . . 0.0 113.062 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.51 -21.2 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 174.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 -88.85 45.81 1.33 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.618 0.767 . . . . 0.0 109.653 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -171.13 94.25 0.18 Allowed 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.125 0.964 . . . . 0.0 112.323 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.464 HH21 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -158.75 143.34 15.85 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 113.927 -1.488 . . . . 0.0 112.613 172.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -125.04 -92.51 0.51 Allowed 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 113.496 -1.684 . . . . 0.0 107.286 172.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -132.15 113.6 13.5 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.928 0.891 . . . . 0.0 109.024 165.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.55 -86.22 0.65 Allowed 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.111 -1.404 . . . . 0.0 110.043 172.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.9 99.83 0.77 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 176.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.3 tp 65.92 146.4 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.7 1.6 . . . . 0.0 113.121 -171.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.36 138.66 7.67 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.537 171.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD12 HH21 ' A' ' 30' ' ' ARG . 81.7 mt 47.25 83.16 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.866 0 O-C-N 120.358 -1.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 1.004 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.238 0.493 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.488 ' C ' ' O ' ' A' ' 0' ' ' ACE . 17.6 t-105 0.18 81.09 0.04 OUTLIER Pre-proline 0 CA--C 1.557 1.215 1 C-N-CA 109.573 -4.851 . . . . 0.0 114.107 . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 1.004 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 94.4 Cg_endo -76.24 158.04 37.4 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 122.688 2.259 . . . . 0.0 111.625 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -61.79 -11.03 19.02 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.124 2.549 . . . . 0.0 115.365 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -159.97 139.96 11.55 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.689 1.596 . . . . 0.0 106.719 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p 73.52 160.03 0.23 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 127.389 2.275 . . . . 0.0 114.067 -174.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -119.5 149.11 42.43 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.504 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.683 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 57.9 m -136.37 142.11 43.75 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.725 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.5 t -81.15 129.25 34.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -81.32 20.51 0.85 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.2 -52.42 2.07 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.249 1.02 . . . . 0.0 113.321 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.9 p -114.91 7.89 15.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? 52.01 35.66 16.66 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.308 1.843 . . . . 0.0 115.689 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.683 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -75.14 153.99 37.95 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.31 131.78 54.4 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -177.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.12 113.64 1.22 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.218 1.407 . . . . 0.0 113.886 -178.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.68 -25.7 66.68 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -95.55 126.2 40.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.509 1.123 . . . . 0.0 113.635 -174.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.42 -34.69 58.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.721 -1.581 . . . . 0.0 114.394 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -54.62 -37.27 65.42 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.189 1.396 . . . . 0.0 112.731 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.56 5.21 46.08 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.18 -58.19 1.94 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.901 0.88 . . . . 0.0 109.915 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.25 -51.44 55.96 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.489 0.566 . . . . 0.0 112.061 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.79 65.58 Favored Glycine 0 CA--C 1.54 1.648 0 CA-C-N 114.094 -1.053 . . . . 0.0 113.868 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.618 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.4 t60 -74.25 -40.06 62.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -174.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -36.01 73.91 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.501 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.6 -38.39 74.83 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.438 0.695 . . . . 0.0 112.795 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -65.4 -20.95 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 175.773 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.421 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -89.88 48.69 1.61 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.416 0.686 . . . . 0.0 109.617 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -171.85 97.89 0.17 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.301 1.84 . . . . 0.0 109.107 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 -157.91 148.13 20.44 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.171 -1.377 . . . . 0.0 109.014 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 62.14 154.21 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.901 2.081 . . . . 0.0 113.72 -172.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 3.4 tpt180 -131.64 87.32 2.44 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.969 0.89 . . . . 0.0 110.914 171.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.43 40.8 0.18 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -163.49 93.88 0.77 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.209 1.004 . . . . 0.0 110.287 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 mp 62.37 151.08 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 113.506 -1.679 . . . . 0.0 113.59 -172.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.6 -65.21 1.18 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.759 175.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -35.03 76.92 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 117.119 -1.419 . . . . 99.989999999999995 112.582 173.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 121.46 1.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.616 ' O ' ' HB3' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.24 0.604 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.616 ' HB3' ' O ' ' A' ' 0' ' ' ACE . 2.3 t-105 99.26 85.66 0.01 OUTLIER Pre-proline 0 N--CA 1.483 1.183 1 C-N-CA 109.497 -4.881 . . . . 0.0 115.004 . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.12 142.66 17.26 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.661 2.24 . . . . 0.0 110.638 172.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -70.84 33.76 0.24 Allowed 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 123.852 3.035 . . . . 0.0 116.374 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -178.01 112.5 0.07 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.427 2.691 . . . . 0.0 108.064 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.9 p 59.15 173.74 0.07 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.111 1.364 . . . . 0.0 112.994 -176.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -122.28 147.16 46.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.27 1.033 . . . . 0.0 111.792 170.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 95.0 m -128.51 144.81 51.21 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 112.868 -1.969 . . . . 0.0 108.931 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.8 t -82.6 131.22 35.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 173.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 p -80.73 14.06 2.31 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.57 -49.1 2.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -117.45 7.78 12.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 21.17 4.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.611 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -61.22 152.52 28.65 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.607 1.163 . . . . 0.0 112.94 177.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.67 135.44 54.97 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.55 113.26 0.61 Allowed 'General case' 0 N--CA 1.483 1.213 0 O-C-N 125.308 1.63 . . . . 0.0 113.192 178.336 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 64.6 ttt-85 -67.75 -34.86 77.66 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.605 -0.684 . . . . 0.0 112.292 170.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 19.5 p -75.35 115.24 14.79 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.727 1.211 . . . . 0.0 113.783 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.86 -36.13 11.52 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.404 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 0.7 OUTLIER -54.07 -46.94 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.069 1.136 . . . . 0.0 114.069 173.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.26 -26.81 60.44 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.9 -1.045 . . . . 0.0 113.324 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -61.1 1.92 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.776 1.231 . . . . 0.0 111.771 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.16 -51.81 51.52 Favored Glycine 0 N--CA 1.481 1.672 0 C-N-CA 124.036 0.826 . . . . 0.0 112.796 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -30.13 67.24 Favored Glycine 0 CA--C 1.54 1.643 0 CA-C-N 114.066 -1.067 . . . . 0.0 113.487 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.4 t60 -72.45 -42.07 65.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -172.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -34.08 73.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.342 175.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.78 -39.69 81.79 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -64.13 -25.9 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 174.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 -80.9 46.82 0.93 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.814 0.846 . . . . 0.0 109.688 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -170.42 97.08 0.25 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.61 1.964 . . . . 0.0 113.031 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.66 164.7 13.87 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 113.625 -1.625 . . . . 0.0 112.108 169.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -57.78 91.74 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.74 1.216 . . . . 0.0 111.776 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.66 -46.84 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.812 -1.54 . . . . 0.0 112.286 -168.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 64.89 -65.08 0.15 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.37 1.868 . . . . 0.0 115.655 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.646 ' CZ ' ' HE ' ' A' ' 36' ' ' ARG . 7.1 ttp180 -175.95 -51.08 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.374 1.07 . . . . 0.0 113.419 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 54.44 94.35 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.646 ' HE ' ' CZ ' ' A' ' 34' ' ' ARG . 9.5 ptp85 -111.89 152.17 28.3 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.99 -177.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 tp -62.08 143.82 56.11 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-O 117.409 -1.281 . . . . 99.989999999999995 112.907 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.882 0 CA-C-N 121.28 1.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.461 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -53.05 144.8 26.18 Favored Pre-proline 0 N--CA 1.48 1.064 1 C-N-CA 109.525 -4.87 . . . . 0.0 115.48 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.26 145.29 71.7 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.745 2.297 . . . . 0.0 112.243 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.53 19.01 0.47 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.746 2.297 . . . . 0.0 115.05 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -93.74 74.54 4.29 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m 62.12 152.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 112.679 -2.055 . . . . 0.0 113.209 -172.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.1 m-85 -118.85 146.22 45.04 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.581 -1.19 . . . . 0.0 113.403 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.5 m -135.26 148.77 49.66 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.252 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -91.62 125.2 36.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -76.79 21.4 0.21 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 -45.68 2.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -122.48 8.83 9.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -176.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.09 43.92 11.29 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 117.19 2.293 . . . . 0.0 117.19 -174.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.596 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.7 mmt180 -74.81 161.38 29.64 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -124.72 132.23 53.4 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -172.48 97.23 0.15 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -57.68 -29.96 65.06 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.925 -1.11 . . . . 0.0 112.332 170.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -81.22 120.74 25.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.95 1.3 . . . . 0.0 114.249 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.73 -33.48 48.21 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.793 -1.549 . . . . 0.0 114.449 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -42.66 55.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.902 1.681 . . . . 0.0 112.361 174.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.61 -24.55 19.52 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.461 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -60.14 2.54 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.782 0.833 . . . . 0.0 112.123 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.56 -50.34 63.61 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 123.709 0.671 . . . . 0.0 112.716 -176.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -31.18 68.24 Favored Glycine 0 CA--C 1.54 1.61 0 CA-C-N 114.228 -0.986 . . . . 0.0 113.722 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.7 t60 -73.89 -38.94 64.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -172.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -33.68 72.46 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 173.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -58.08 -44.65 87.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.655 0.782 . . . . 0.0 112.2 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -60.25 -26.34 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 176.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 -83.4 48.11 1.36 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -164.27 18.02 0.06 Allowed 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 167.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -159.78 51.58 0.34 Allowed 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 122.617 1.198 . . . . 0.0 113.956 -169.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -178.9 -62.8 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 114.645 -1.162 . . . . 0.0 110.556 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 66.66 129.14 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.505 1.922 . . . . 0.0 110.789 -169.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.0 154.72 35.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 113.217 -1.81 . . . . 0.0 110.396 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 154.55 38.07 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.803 176.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.4 tp 70.87 128.41 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 126.798 2.039 . . . . 0.0 112.496 -170.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.79 88.32 2.84 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.675 173.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp 51.78 78.96 0.11 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 113.212 -1.813 . . . . 0.0 115.276 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.892 0 O-C-N 120.261 -1.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.487 ' O ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.237 0.423 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.487 ' CD1' ' O ' ' A' ' 0' ' ' ACE . 0.4 OUTLIER 14.82 98.98 0.02 OUTLIER Pre-proline 0 N--CA 1.481 1.092 1 C-N-CA 109.605 -4.838 . . . . 0.0 117.367 . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -69.5 163.27 38.68 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.791 2.994 . . . . 0.0 113.001 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.23 -21.0 57.93 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.021 2.481 . . . . 0.0 114.544 169.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -69.31 66.16 0.18 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.728 1.211 . . . . 0.0 112.652 172.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 p 60.36 156.92 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.867 2.067 . . . . 0.0 113.765 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 82.2 m-85 -107.5 147.98 29.8 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.41 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 51.8 m -134.22 144.39 48.4 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.625 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 40.4 t -85.34 126.54 33.82 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 p -81.05 24.97 0.48 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.17 -51.08 1.66 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.633 1.173 . . . . 0.0 113.344 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -117.32 4.48 12.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 51.71 37.97 21.6 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 -175.619 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.652 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.6 OUTLIER -69.97 156.93 38.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.229 1.411 . . . . 0.0 113.781 175.198 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -121.23 133.14 55.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.71 105.39 0.35 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 178.416 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -62.57 -27.12 68.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 167.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -88.47 120.7 30.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.793 1.237 . . . . 0.0 113.314 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.87 28.73 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 113.953 -1.476 . . . . 0.0 114.778 176.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -54.76 -39.39 68.3 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.91 1.284 . . . . 0.0 113.422 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.82 3.8 53.4 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.76 -60.68 1.48 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.165 0.986 . . . . 0.0 110.064 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.45 63.45 Favored Glycine 0 N--CA 1.483 1.786 0 C-N-CA 123.545 0.593 . . . . 0.0 112.054 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.34 -32.23 63.69 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 113.851 -1.175 . . . . 0.0 113.409 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.623 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.3 t60 -73.28 -44.72 58.73 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.09 69.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.94 -38.46 82.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.2 p -67.27 -16.7 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -88.93 -83.75 0.22 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.258 1.023 . . . . 0.0 109.555 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 161.12 150.95 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 129.822 3.249 . . . . 0.0 110.669 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HB2' HH11 ' A' ' 30' ' ' ARG . 0.9 OUTLIER 57.44 90.1 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.708 1.603 . . . . 0.0 114.579 174.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -146.78 36.99 0.96 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.642 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 58.81 -73.18 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.674 1.189 . . . . 0.0 113.583 -166.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.84 48.05 4.9 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.076 1.751 . . . . 0.0 114.592 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.5 -78.94 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 113.235 -1.802 . . . . 0.0 111.261 -170.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt 61.34 159.32 0.05 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.107 1.363 . . . . 0.0 114.351 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -142.95 141.27 31.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 113.593 -1.639 . . . . 0.0 111.594 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.0 tp -65.79 -34.39 78.07 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 117.316 -1.326 . . . . 0.0 112.774 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 121.36 1.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.437 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.237 0.421 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 28.25 81.61 0.21 Allowed Pre-proline 0 CA--C 1.555 1.168 1 C-N-CA 109.481 -4.887 . . . . 0.0 114.826 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 98.9 Cg_endo -78.23 144.38 20.73 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.949 2.433 . . . . 0.0 110.89 173.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.15 81.69 1.14 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.779 2.319 . . . . 0.0 112.084 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -158.17 154.29 27.13 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.446 -1.706 . . . . 0.0 108.475 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -74.11 141.41 45.63 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.413 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 66.0 m-85 -119.2 151.76 37.8 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.174 0.921 . . . . 0.0 113.483 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 97.3 m -141.01 142.53 34.24 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.755 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.692 ' CB ' ' HE1' ' A' ' 24' ' ' HIS . 20.7 t -78.94 138.86 38.28 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -87.4 14.32 8.26 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.67 -48.95 2.66 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -114.96 -1.46 13.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 54.89 29.55 12.27 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -175.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.616 ' O ' ' HA ' ' A' ' 7' ' ' THR . 5.5 mtp85 -66.32 153.36 42.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -121.53 131.1 53.95 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -163.94 112.73 1.2 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 113.967 -1.47 . . . . 0.0 112.907 -177.193 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -46.99 88.05 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.676 -0.64 . . . . 0.0 111.319 168.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 p -68.63 116.42 9.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.756 1.222 . . . . 0.0 114.239 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.86 -35.56 6.5 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 173.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.7 -42.54 71.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.151 0.98 . . . . 0.0 113.558 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.49 3.94 52.49 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 -58.01 1.95 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.39 1.076 . . . . 0.0 109.736 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.98 59.2 Favored Glycine 0 N--CA 1.481 1.658 0 C-N-CA 123.651 0.643 . . . . 0.0 112.084 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -30.84 68.09 Favored Glycine 0 CA--C 1.54 1.627 0 CA-C-N 114.302 -0.949 . . . . 0.0 113.652 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.755 ' CE1' ' HE2' ' A' ' 28' ' ' HIS . 7.6 t-80 -72.89 -41.22 64.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -173.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.85 72.83 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 174.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.52 -42.34 82.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.637 0.775 . . . . 0.0 112.739 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.9 p -62.76 -26.91 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.755 ' HE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 -81.96 37.97 0.51 Allowed 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -143.0 0.63 1.22 Allowed 'General case' 0 N--CA 1.478 0.964 0 O-C-N 119.213 -2.179 . . . . 0.0 114.24 167.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -143.96 83.16 1.74 Allowed 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 122.395 1.093 . . . . 0.0 112.554 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.97 154.23 1.08 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 113.399 -1.728 . . . . 0.0 112.021 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -107.77 -53.98 2.55 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 114.376 -1.284 . . . . 0.0 111.029 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.3 136.08 41.73 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.392 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.41 162.89 17.29 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.252 1.421 . . . . 0.0 110.759 -178.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 tp 66.78 106.5 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 126.215 1.806 . . . . 0.0 113.744 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -62.96 -34.8 78.27 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 38' ' ' NH2 . 1.9 tm? -164.02 141.25 6.91 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 116.555 -1.688 . . . . 99.989999999999995 110.425 -175.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 0.442 ' N ' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--N 1.316 -0.856 0 CA-C-N 121.653 2.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.508 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 65.9 m95 25.36 79.83 0.21 Allowed Pre-proline 0 CA--C 1.554 1.13 1 C-N-CA 109.553 -4.859 . . . . 0.0 113.755 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.4 147.11 46.2 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.628 2.219 . . . . 0.0 112.902 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -60.99 -16.79 47.68 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.931 2.421 . . . . 0.0 115.245 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.25 26.7 9.44 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -177.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -178.96 153.68 0.65 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.487 1.515 . . . . 0.0 113.264 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 72.4 m-85 -112.0 148.78 33.07 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.99 173.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 86.8 m -136.27 141.36 43.88 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.259 -1.791 . . . . 0.0 109.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.0 t -80.75 124.82 29.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -75.22 27.55 0.1 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 171.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.08 -50.27 0.95 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.3 p -116.3 5.78 13.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 51.88 33.67 11.97 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.807 2.521 . . . . 0.0 117.807 -175.415 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -74.23 152.76 39.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.236 1.014 . . . . 0.0 113.285 178.037 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.74 133.24 55.99 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.349 -0.842 . . . . 0.0 113.192 -173.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.98 104.99 0.23 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 125.102 1.501 . . . . 0.0 114.132 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.37 -29.68 69.08 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 169.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.1 p -85.45 123.74 31.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.661 1.185 . . . . 0.0 113.876 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -35.65 34.74 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.603 -1.635 . . . . 0.0 114.565 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.45 -45.96 62.87 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.805 1.242 . . . . 0.0 113.235 174.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.63 -1.58 57.41 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -58.55 2.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.888 0.875 . . . . 0.0 110.309 178.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.3 -51.9 53.12 Favored Glycine 0 N--CA 1.483 1.819 0 C-N-CA 123.628 0.633 . . . . 0.0 112.025 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.37 -30.03 64.12 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 113.899 -1.151 . . . . 0.0 113.817 173.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.0 t60 -74.17 -41.35 61.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -174.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.65 -30.49 71.41 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.71 -39.54 81.07 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.774 0.83 . . . . 0.0 112.649 172.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.44 -14.43 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 175.163 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.3 m-70 -93.62 -64.61 1.07 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.473 0.709 . . . . 0.0 109.606 173.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 55.05 85.64 0.06 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.817 1.647 . . . . 0.0 114.188 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -127.72 104.04 7.63 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.884 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -139.01 146.91 41.44 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.265 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -116.1 -51.14 2.64 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 35' ' ' LEU . . . -169.52 127.42 0.94 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.613 1.565 . . . . 0.0 108.944 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -83.39 -55.77 4.13 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD23 ' HB1' ' A' ' 33' ' ' ALA . 4.5 mm? 48.77 81.28 0.05 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -117.86 106.4 12.94 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 113.417 -1.719 . . . . 0.0 110.231 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 tp 58.16 84.74 0.1 Allowed 'General case' 0 C--O 1.254 1.316 0 CA-C-N 113.413 -1.721 . . . . 0.0 114.026 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.855 0 O-C-N 120.291 -1.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.465 ' O ' ' C ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.45 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.465 ' C ' ' O ' ' A' ' 0' ' ' ACE . 68.8 p-90 -49.82 135.94 19.97 Favored Pre-proline 0 CA--C 1.552 1.033 1 C-N-CA 109.533 -4.867 . . . . 0.0 115.081 . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -70.55 135.9 29.67 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.857 2.371 . . . . 0.0 112.323 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.36 -172.42 0.9 Allowed 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.073 2.515 . . . . 0.0 112.66 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 58.02 86.85 0.07 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.557 1.943 . . . . 0.0 111.658 -173.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m 59.33 166.64 0.06 Allowed 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 112.771 -2.013 . . . . 0.0 113.341 -170.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.15 147.38 36.25 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.876 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 3.1 m -131.94 145.68 51.64 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 112.799 -2.001 . . . . 0.0 111.34 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.89 123.39 31.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -77.09 32.42 0.14 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 172.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.46 -50.38 0.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.902 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.7 p -118.48 10.02 12.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.02 43.19 25.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 118.964 -2.335 . . . . 0.0 115.491 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.627 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.97 159.33 24.92 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.107 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 133.12 52.17 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.81 111.11 0.44 Allowed 'General case' 0 N--CA 1.486 1.331 0 O-C-N 125.005 1.441 . . . . 0.0 113.67 178.456 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.83 -36.07 83.16 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 121.565 -0.709 . . . . 0.0 112.024 169.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 p -77.91 125.39 29.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.08 1.352 . . . . 0.0 114.531 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.78 60.72 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 113.613 -1.63 . . . . 0.0 114.484 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -53.78 -45.18 70.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.292 1.437 . . . . 0.0 112.371 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.34 -11.11 55.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -59.22 2.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.164 0.986 . . . . 0.0 110.854 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.44 61.11 Favored Glycine 0 N--CA 1.48 1.613 0 C-N-CA 123.754 0.692 . . . . 0.0 112.433 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -59.65 -31.41 71.06 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-N 114.073 -1.063 . . . . 0.0 113.593 173.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.602 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.2 t60 -73.55 -40.42 63.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -173.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -28.16 69.39 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 173.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 25.0 t-20 -61.46 -44.18 97.56 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 124.189 0.93 . . . . 0.0 111.955 173.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.6 p -64.14 -23.0 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 176.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.406 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 -82.58 -95.01 0.05 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 170.34 70.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 127.307 2.243 . . . . 0.0 110.482 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.85 167.8 0.06 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.821 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -76.2 82.65 3.01 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.358 -0.839 . . . . 0.0 109.41 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 72.64 -33.35 0.27 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.393 2.277 . . . . 0.0 114.681 175.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.511 ' HB1' ' HG3' ' A' ' 36' ' ' ARG . . . -158.91 148.48 19.02 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.865 1.666 . . . . 0.0 111.311 174.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -81.08 84.86 6.41 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.393 0.616 . . . . 0.0 110.164 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp 67.35 -62.92 0.31 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 126.189 1.796 . . . . 0.0 115.19 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.511 ' HG3' ' HB1' ' A' ' 33' ' ' ALA . 39.6 mtp85 58.58 160.52 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.454 1.901 . . . . 0.0 115.587 -173.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tt -76.7 136.09 39.08 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 113.821 -1.536 . . . . 99.989999999999995 111.239 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 121.337 1.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.468 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -52.28 143.01 27.38 Favored Pre-proline 0 CA--C 1.554 1.11 1 C-N-CA 109.548 -4.861 . . . . 0.0 113.881 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.82 136.62 28.09 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.478 2.119 . . . . 0.0 111.618 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -72.39 27.09 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.548 2.832 . . . . 0.0 115.728 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -112.87 156.76 22.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.45 1.1 . . . . 0.0 110.145 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 41.7 m -52.42 140.19 22.91 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 114.323 -1.308 . . . . 0.0 112.107 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -95.0 149.0 21.73 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.045 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 4.9 m -130.24 149.04 52.11 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 113.154 -1.839 . . . . 0.0 110.901 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -89.74 124.26 34.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -77.74 27.42 0.17 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -49.7 1.39 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.923 0.889 . . . . 0.0 113.272 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.29 8.38 12.24 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? 54.04 28.18 8.46 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.58 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.9 mmt180 -64.05 159.37 20.35 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 176.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.84 133.14 49.37 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.863 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.08 106.93 0.51 Allowed 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.345 1.653 . . . . 0.0 113.781 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.55 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 36.2 ptt85 -63.88 -24.85 67.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 171.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 p -93.34 125.05 37.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 122.581 1.181 . . . . 0.0 113.541 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.58 46.42 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.586 -1.643 . . . . 0.0 115.417 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -55.42 -41.27 72.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.874 0.87 . . . . 0.0 113.13 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.39 -2.22 58.48 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -58.85 1.89 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.275 1.03 . . . . 0.0 110.085 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.21 62.79 Favored Glycine 0 N--CA 1.484 1.844 0 C-N-CA 123.579 0.609 . . . . 0.0 112.203 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.91 -30.0 68.88 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 114.344 -0.928 . . . . 0.0 113.723 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.6 t60 -74.84 -38.02 62.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -173.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -34.01 72.67 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 171.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.892 0.877 . . . . 0.0 113.078 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.9 OUTLIER -68.45 -24.43 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 172.135 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -89.36 47.13 1.44 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -174.02 46.87 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.761 1.624 . . . . 0.0 113.256 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -114.56 149.44 36.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.35 -1.295 . . . . 0.0 111.396 -174.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.71 133.53 55.43 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 114.906 -1.043 . . . . 0.0 113.227 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -119.07 162.34 18.75 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.799 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.08 159.68 5.56 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.226 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -51.99 145.01 10.79 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.695 0.798 . . . . 0.0 110.885 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 tt 70.31 82.71 0.15 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.365 2.266 . . . . 0.0 109.583 -165.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -148.96 46.83 1.0 Allowed 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 112.872 -1.967 . . . . 0.0 112.988 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 tp 60.93 93.49 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.327 1.451 . . . . 0.0 113.617 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.77 0 O-C-N 120.198 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 1.074 ' O ' ' O ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.239 0.53 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 1.074 ' O ' ' O ' ' A' ' 0' ' ' ACE . 68.4 m95 41.07 142.22 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.2 1 C-N-CA 109.447 -4.901 . . . . 0.0 113.633 . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.69 142.5 70.69 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.501 2.134 . . . . 0.0 111.683 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.55 38.8 0.45 Allowed 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.333 2.689 . . . . 0.0 115.345 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.5 ttp85 -170.13 106.47 0.33 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.053 1.341 . . . . 0.0 108.934 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p 64.39 155.92 0.07 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 126.565 1.946 . . . . 0.0 113.405 -173.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 78.8 m-85 -112.07 152.03 28.69 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 122.232 1.015 . . . . 0.0 112.889 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.1 m -133.48 152.04 51.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.629 -2.078 . . . . 0.0 109.559 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 44.2 t -91.21 130.26 37.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -84.58 23.46 1.14 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.94 -48.21 1.89 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.795 -1.093 . . . . 0.0 113.051 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.0 p -119.51 6.87 11.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 49.06 36.32 8.5 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 117.318 2.34 . . . . 0.0 117.318 -176.357 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 7' ' ' THR . 11.1 ttt180 -74.99 159.37 31.87 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.655 0.782 . . . . 0.0 112.354 177.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.75 135.3 54.94 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.938 0.895 . . . . 0.0 113.311 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -171.44 109.88 0.29 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.447 1.499 . . . . 0.0 114.396 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 ptt-85 -65.97 -30.51 71.08 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 168.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 p -79.4 118.33 21.19 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.582 1.182 . . . . 0.0 113.646 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -33.4 37.48 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.775 -1.557 . . . . 0.0 114.087 173.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -47.86 62.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.511 1.525 . . . . 0.0 111.739 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -43.9 39.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 0.0 112.63 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -58.13 9.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.441 1.097 . . . . 0.0 112.733 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.63 -53.74 41.51 Favored Glycine 0 N--CA 1.482 1.753 0 C-N-CA 123.606 0.622 . . . . 0.0 112.367 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -28.99 64.67 Favored Glycine 0 CA--C 1.54 1.603 0 CA-C-N 114.049 -1.076 . . . . 0.0 113.761 175.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.619 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -72.7 -40.21 66.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -173.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.23 -28.95 70.09 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -59.69 -40.95 89.57 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.82 0.848 . . . . 0.0 112.529 171.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.98 -16.27 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 -90.95 -65.1 1.04 Allowed 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 172.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.12 84.48 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.181 1.392 . . . . 0.0 114.541 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -72.13 85.02 1.02 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 122.231 1.015 . . . . 0.0 112.376 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -156.37 -72.33 0.1 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.843 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -167.67 168.9 12.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.918 1.287 . . . . 0.0 109.082 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.73 125.72 24.24 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.64 33.09 4.39 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -176.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.5 mt 53.6 -162.68 0.11 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.941 1.296 . . . . 0.0 111.449 -170.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -74.72 136.59 41.8 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.217 0.917 . . . . 0.0 109.792 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 pp -38.55 -28.68 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 121.676 2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 1.391 ' O ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.455 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 1.391 ' CD1' ' O ' ' A' ' 0' ' ' ACE . 54.3 m95 -154.75 90.11 3.11 Favored Pre-proline 0 N--CA 1.48 1.067 1 C-N-CA 109.54 -4.864 . . . . 0.0 116.159 . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 1' ' ' TRP . 72.1 Cg_endo -70.75 145.57 51.81 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 122.784 2.322 . . . . 0.0 111.426 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.84 38.51 0.36 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.699 2.933 . . . . 0.0 115.158 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.42 34.89 0.09 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.082 1.753 . . . . 0.0 113.977 -177.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -173.23 147.68 1.57 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.247 1.419 . . . . 0.0 112.478 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 70.9 m-85 -118.93 145.99 45.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 114.31 -1.313 . . . . 0.0 112.071 171.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.598 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 91.4 m -132.84 146.76 52.1 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.588 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 40.0 t -84.84 129.48 34.81 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 176.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -80.93 19.1 0.9 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.16 -49.53 2.06 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.162 0.985 . . . . 0.0 113.576 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.8 p -116.8 4.9 13.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' CYS 0.255 0.5 OUTLIER 49.79 32.97 5.76 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.201 2.667 . . . . 0.0 118.201 -175.649 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.598 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.5 mmt180 -65.71 155.1 37.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.299 1.44 . . . . 0.0 113.141 173.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.42 132.66 54.47 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.904 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.61 103.28 0.42 Allowed 'General case' 0 N--CA 1.486 1.346 0 O-C-N 125.418 1.699 . . . . 0.0 114.554 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -60.94 -26.82 67.77 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 168.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -88.11 128.02 35.42 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.395 1.093 . . . . 0.0 113.945 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -39.18 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.609 -1.632 . . . . 0.0 114.884 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -52.04 -47.95 64.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.904 1.281 . . . . 0.0 112.726 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.71 -14.72 58.55 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -60.87 1.88 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.499 1.12 . . . . 0.0 111.013 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.87 -50.97 58.36 Favored Glycine 0 N--CA 1.482 1.708 0 C-N-CA 123.805 0.717 . . . . 0.0 112.508 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.07 66.43 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-N 114.031 -1.085 . . . . 0.0 113.527 174.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.632 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -73.89 -41.51 62.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -173.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.86 73.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.875 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -57.97 -37.09 73.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.5 p -67.58 -25.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 175.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 -81.96 49.8 1.44 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.96 0.904 . . . . 0.0 109.541 176.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -174.87 115.71 0.17 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.495 1.518 . . . . 0.0 108.071 173.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 47.2 -155.27 0.06 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.445 1.498 . . . . 0.0 113.465 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -152.28 148.72 27.87 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.66 1.584 . . . . 0.0 108.199 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -74.29 75.99 1.84 Allowed 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.526 1.155 . . . . 0.0 110.629 175.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.47 -173.64 0.08 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 113.005 -1.907 . . . . 0.0 112.19 -172.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? 178.17 -70.73 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.789 2.036 . . . . 0.0 108.156 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 36.27 76.48 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.426 1.891 . . . . 0.0 113.895 -175.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 47.63 -145.08 0.31 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 112.841 -1.981 . . . . 0.0 111.777 -171.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.0 tp -65.49 -35.18 80.11 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-O 116.753 -1.594 . . . . 99.989999999999995 112.316 169.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.797 0 CA-C-N 121.644 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.563 ' O ' ' C ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.237 0.445 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.563 ' C ' ' O ' ' A' ' 0' ' ' ACE . 72.6 m95 41.01 91.32 0.06 OUTLIER Pre-proline 0 N--CA 1.48 1.049 1 C-N-CA 109.498 -4.881 . . . . 0.0 114.142 . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 1' ' ' TRP . 72.9 Cg_endo -67.68 146.03 71.72 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.94 2.427 . . . . 0.0 111.973 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.46 75.5 2.95 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.701 2.267 . . . . 0.0 112.043 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.54 83.52 1.04 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.984 -1.462 . . . . 0.0 107.84 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m 57.75 160.01 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 114.258 -1.337 . . . . 0.0 114.183 -171.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 80.8 m-85 -122.14 148.31 45.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.993 -1.003 . . . . 0.0 113.156 170.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 54.8 m -133.28 145.22 50.28 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.202 -1.817 . . . . 0.0 110.189 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.3 t -82.79 130.16 35.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p -83.26 22.17 1.04 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.02 -49.58 1.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.255 1.022 . . . . 0.0 113.577 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.0 p -117.13 6.13 12.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? 55.63 23.95 6.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.61 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -66.4 154.35 40.36 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.155 0.982 . . . . 0.0 113.432 178.317 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.56 135.93 54.94 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.68 110.14 0.36 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.788 1.635 . . . . 0.0 113.462 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.317 -0.865 . . . . 0.0 112.801 169.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.7 p -79.2 125.45 29.47 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.57 -40.67 65.81 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.376 -1.738 . . . . 0.0 114.336 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.09 -53.65 6.2 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.65 -45.65 64.73 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.215 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -58.95 5.56 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.131 0.972 . . . . 0.0 112.448 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.78 -54.22 38.18 Favored Glycine 0 N--CA 1.481 1.692 0 C-N-CA 123.622 0.629 . . . . 0.0 112.348 -176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.46 -28.97 65.64 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 114.018 -1.091 . . . . 0.0 113.589 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.637 ' O ' HG12 ' A' ' 27' ' ' VAL . 37.6 t60 -72.36 -43.22 64.33 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -173.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 tpt -65.15 -28.22 69.26 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.84 -39.12 84.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.087 0.955 . . . . 0.0 113.152 170.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.1 p -66.76 -22.61 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.457 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.7 m-70 -83.05 -84.05 0.13 Allowed 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.717 0.807 . . . . 0.0 109.6 173.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 171.06 101.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 127.734 2.414 . . . . 0.0 109.82 -178.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.2 81.58 1.64 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.489 1.137 . . . . 0.0 110.077 176.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -170.44 153.2 4.22 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 113.901 -1.5 . . . . 0.0 112.212 -170.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -62.29 156.27 22.66 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 114.556 -1.202 . . . . 0.0 113.239 174.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.92 153.09 14.83 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 114.691 -1.141 . . . . 0.0 110.284 167.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB3' HD12 ' A' ' 35' ' ' LEU . 4.3 ttt180 71.43 168.73 0.31 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.78 1.632 . . . . 0.0 111.536 -171.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 34' ' ' ARG . 4.9 mp 69.08 -65.06 0.31 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.362 1.865 . . . . 0.0 113.679 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 42.41 -153.63 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 127.002 2.121 . . . . 0.0 114.319 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.94 145.21 45.96 Favored 'General case' 0 C--O 1.253 1.246 0 CA-C-O 117.031 -1.461 . . . . 0.0 113.016 172.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 121.472 1.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.48 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.409 ' HH2' ' HA ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -116.85 139.12 25.3 Favored Pre-proline 0 N--CA 1.482 1.138 1 C-N-CA 109.509 -4.877 . . . . 0.0 115.548 . . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.34 149.99 75.8 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 122.973 2.449 . . . . 0.0 111.788 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -73.59 72.96 3.57 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.646 2.231 . . . . 0.0 111.415 172.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.439 ' HG2' ' H ' ' A' ' 5' ' ' SER . 15.6 ttm180 -140.29 160.34 40.18 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.264 -178.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.439 ' H ' ' HG2' ' A' ' 4' ' ' ARG . 35.9 m -82.42 144.14 30.7 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.895 1.278 . . . . 0.0 112.318 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 68.4 m-85 -111.01 146.6 36.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.783 170.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.665 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 36.7 m -137.64 143.33 41.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.599 -1.637 . . . . 0.0 111.272 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.4 t -82.5 129.94 35.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.2 p -82.14 19.82 1.12 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.29 -50.47 2.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.278 1.031 . . . . 0.0 113.393 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -117.28 4.6 12.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 51.53 38.25 21.75 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 -175.141 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.665 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -70.49 155.86 40.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.141 1.376 . . . . 0.0 113.304 175.78 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.86 128.58 49.7 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.35 105.82 0.88 Allowed 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 123.289 1.518 . . . . 0.0 114.821 -179.184 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -60.26 -25.6 65.81 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.376 -1.283 . . . . 0.0 113.509 168.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.465 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 59.2 p -100.09 126.49 46.33 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.481 1.112 . . . . 0.0 113.874 -173.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.54 -34.53 58.53 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 113.728 -1.578 . . . . 0.0 114.829 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.465 ' HG2' ' HB2' ' A' ' 17' ' ' SER . 9.4 pt20 -51.7 -40.38 60.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.833 1.253 . . . . 0.0 113.707 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.56 9.35 42.64 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.55 -59.0 1.78 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.946 0.898 . . . . 0.0 109.427 177.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.35 57.54 Favored Glycine 0 N--CA 1.481 1.681 0 C-N-CA 123.418 0.532 . . . . 0.0 111.87 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.53 66.44 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.988 -1.106 . . . . 0.0 113.705 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.616 ' O ' HG12 ' A' ' 27' ' ' VAL . 38.5 t60 -73.18 -40.99 64.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -174.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.33 -30.93 71.51 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 175.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -60.07 -36.59 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.54 0.736 . . . . 0.0 112.908 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -68.88 -14.56 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.226 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 -94.97 -64.01 1.11 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.421 0.688 . . . . 0.0 109.571 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.48 64.86 1.2 Allowed 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -124.92 149.86 47.16 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.924 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 65.76 149.0 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.108 1.763 . . . . 0.0 112.74 -169.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -77.0 135.16 38.67 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.433 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.15 -38.65 62.92 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 38.98 -138.58 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.834 1.653 . . . . 0.0 113.589 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.5 tp 43.63 52.29 6.24 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -49.7 -37.48 29.12 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -129.21 -29.56 2.25 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 125.27 1.428 . . . . 99.989999999999995 112.067 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 121.186 1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 1.177 ' O ' ' CB ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.457 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 1.177 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 16.5 t-105 114.03 88.7 0.0 OUTLIER Pre-proline 1 C--N 1.48 6.262 1 C-N-CA 109.504 -4.878 . . . . 0.0 114.945 . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.53 153.92 35.07 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.269 2.646 . . . . 0.0 111.324 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -55.18 -27.06 54.33 Favored 'Trans proline' 0 N--CA 1.482 0.826 0 C-N-CA 123.151 2.567 . . . . 0.0 115.406 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.426 ' CZ ' ' HE ' ' A' ' 16' ' ' ARG . 64.2 mtp85 -113.72 140.47 48.23 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.496 0.719 . . . . 0.0 109.976 169.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m 59.73 140.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.076 1.751 . . . . 0.0 115.331 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -101.27 145.83 28.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 113.885 -1.507 . . . . 0.0 111.43 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 96.9 m -132.23 145.4 51.3 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.193 -1.821 . . . . 0.0 109.607 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 42.0 t -83.75 135.94 34.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -82.57 7.39 14.7 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.22 -42.83 4.06 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -123.96 2.95 8.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 52.19 31.45 9.15 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 118.412 2.745 . . . . 0.0 118.412 -174.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.63 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mmt-85 -63.62 150.8 43.32 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 172.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -118.67 135.23 54.58 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.439 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -163.17 127.11 2.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.815 1.322 . . . . 0.0 113.746 178.038 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' HE ' ' CZ ' ' A' ' 4' ' ' ARG . 43.6 ttt-85 -97.53 61.2 1.63 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.386 1.089 . . . . 0.0 110.946 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -168.89 138.74 2.27 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.661 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.36 74.86 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.719 -1.582 . . . . 0.0 113.048 173.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -58.62 -53.33 59.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.405 1.082 . . . . 0.0 111.882 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.84 87.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 175.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -57.86 10.28 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.333 1.053 . . . . 0.0 112.372 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -52.23 52.14 Favored Glycine 0 N--CA 1.48 1.626 0 C-N-CA 124.005 0.812 . . . . 0.0 112.47 -176.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -60.04 -28.87 67.01 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 114.285 -0.957 . . . . 0.0 113.418 175.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.589 ' O ' HG12 ' A' ' 27' ' ' VAL . 54.5 t60 -74.99 -42.17 58.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -32.59 72.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.493 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 23.5 t-20 -55.72 -46.04 77.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 117.839 -1.076 . . . . 0.0 111.995 173.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -63.52 -22.43 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 178.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -81.08 -57.18 3.64 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 172.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 45.6 21.98 0.09 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -177.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -119.43 97.56 5.71 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.96 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -150.24 42.78 0.85 Allowed 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.693 -1.139 . . . . 0.0 113.781 174.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.3 ttt-85 63.81 -50.36 0.25 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 127.325 2.25 . . . . 0.0 113.944 -175.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 115.85 3.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.452 1.501 . . . . 0.0 111.302 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -156.96 149.52 23.37 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 113.339 -1.755 . . . . 0.0 107.853 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 mp 63.99 176.75 0.17 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.928 1.291 . . . . 0.0 112.218 -170.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.12 142.0 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 126.257 1.823 . . . . 0.0 112.841 -175.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -69.21 140.67 54.58 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 117.016 -1.469 . . . . 0.0 114.919 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.855 0 CA-C-N 121.538 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.893 ' O ' ' O ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.457 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.893 ' O ' ' O ' ' A' ' 0' ' ' ACE . 25.9 m0 29.24 140.1 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.078 1 C-N-CA 109.494 -4.883 . . . . 0.0 115.626 . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.91 141.43 84.34 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.804 2.336 . . . . 0.0 112.179 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.69 102.36 0.86 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.571 2.847 . . . . 0.0 111.695 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -157.6 159.44 37.06 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.902 -1.499 . . . . 0.0 109.488 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p -66.72 102.44 0.93 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.577 1.151 . . . . 0.0 113.593 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 93.6 m-85 -99.01 152.17 20.11 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.1 m -137.39 151.93 49.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.318 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -92.43 128.73 38.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p -80.9 17.67 1.15 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 174.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -42.99 2.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -126.13 9.75 7.43 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.79 28.71 3.8 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 -176.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -64.08 158.29 23.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.973 1.309 . . . . 0.0 113.731 176.414 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.4 134.4 49.91 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -167.49 109.53 0.63 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.633 1.573 . . . . 0.0 114.267 -178.837 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.52 75.2 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.288 -0.869 . . . . 0.0 113.133 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.7 p -83.4 122.96 29.18 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.777 1.275 . . . . 0.0 114.008 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.63 -36.18 56.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.109 -1.86 . . . . 0.0 114.839 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.21 -49.28 72.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.282 0.633 . . . . 0.0 112.472 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.22 74.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.926 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD13 ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -56.31 -57.91 10.25 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.012 0.925 . . . . 0.0 112.305 179.071 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.1 -53.29 43.57 Favored Glycine 0 N--CA 1.481 1.69 0 C-N-CA 123.71 0.671 . . . . 0.0 112.295 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.3 67.94 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-N 114.295 -0.953 . . . . 0.0 113.67 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.627 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.8 t60 -73.48 -41.38 63.21 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -172.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 tpt -63.01 -29.88 71.17 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.2 -39.36 86.29 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.862 0.865 . . . . 0.0 112.631 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -67.81 -11.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 174.572 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -96.52 -73.05 0.61 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.576 0.751 . . . . 0.0 109.585 172.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.46 44.47 13.08 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.937 1.351 . . . . 0.0 113.118 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 53.16 60.0 4.05 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -171.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.09 -71.33 0.08 Allowed 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 115.168 -0.924 . . . . 0.0 113.316 170.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -173.29 151.88 2.12 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.068 1.347 . . . . 0.0 109.746 176.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.25 140.54 40.1 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.764 0.825 . . . . 0.0 112.285 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -148.57 174.76 11.79 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.833 1.253 . . . . 0.0 112.887 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 64.36 -161.24 0.28 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.692 1.997 . . . . 0.0 113.059 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 135.58 57.41 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.169 0.588 . . . . 0.0 110.496 175.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.68 91.35 0.07 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.091 1.357 . . . . 0.0 114.381 -176.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.867 0 O-C-N 120.328 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.8 p . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -118.78 143.93 46.61 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.31 172.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.676 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.4 m -127.76 139.34 52.73 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 113.106 -1.861 . . . . 0.0 110.052 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.6 t -76.87 128.94 35.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 p -82.66 23.68 0.78 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.85 -54.56 1.83 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.702 1.201 . . . . 0.0 112.684 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -112.95 3.56 16.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.57 28.1 13.4 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 119.008 2.966 . . . . 0.0 119.008 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.676 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -62.68 154.35 29.59 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.68 130.52 56.4 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.939 -1.028 . . . . 0.0 113.028 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -165.59 109.01 0.82 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 114.435 -1.257 . . . . 0.0 114.2 176.196 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 18.4 ptt-85 -64.03 -26.91 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 168.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 p -89.48 124.18 34.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.776 1.274 . . . . 0.0 113.646 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.89 -34.0 58.17 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.429 -1.714 . . . . 0.0 114.262 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.96 -49.15 66.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.857 1.263 . . . . 0.0 112.107 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.77 61.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.695 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -58.05 8.95 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.226 1.011 . . . . 0.0 112.388 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.37 -53.47 42.93 Favored Glycine 0 N--CA 1.481 1.651 0 C-N-CA 123.77 0.7 . . . . 0.0 112.475 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -59.67 -29.75 67.65 Favored Glycine 0 CA--C 1.54 1.609 0 CA-C-N 114.286 -0.957 . . . . 0.0 113.604 175.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.4 t60 -73.05 -41.53 64.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -172.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.42 72.63 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 27.5 t-20 -58.28 -43.77 88.15 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.301 1.041 . . . . 0.0 112.583 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.06 -23.35 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.445 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 69.9 m-85 -117.02 146.8 42.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.987 -1.006 . . . . 0.0 113.617 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.688 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 26.8 m -137.39 142.01 41.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 113.246 -1.797 . . . . 0.0 111.213 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.8 t -82.22 129.91 34.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -83.07 23.47 0.86 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -50.53 1.77 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.338 1.055 . . . . 0.0 113.394 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.52 5.74 13.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -177.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 40.57 22.09 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.688 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.3 mmt180 -74.78 157.32 35.39 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.068 1.347 . . . . 0.0 113.532 176.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.51 131.71 53.48 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -177.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.67 101.66 0.32 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.866 1.666 . . . . 0.0 114.502 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' NH2' ' HB3' ' A' ' 17' ' ' SER . 0.0 OUTLIER -63.46 -23.44 67.4 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.656 -1.278 . . . . 0.0 114.181 171.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.487 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 35.5 p -84.57 123.48 30.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.082 1.353 . . . . 0.0 114.056 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.65 -34.73 52.94 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 113.762 -1.563 . . . . 0.0 114.427 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -52.35 -43.59 64.73 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.691 1.196 . . . . 0.0 113.99 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.12 5.95 50.42 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 -57.93 2.0 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.823 0.849 . . . . 0.0 109.854 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.45 62.42 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.534 0.588 . . . . 0.0 112.202 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.45 -32.43 72.9 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 114.357 -0.922 . . . . 0.0 113.666 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.639 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -72.87 -41.14 65.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -33.44 70.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.899 174.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.03 -38.97 88.0 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -63.31 -26.38 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.45 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.128 0.571 . . . . 0.0 109.567 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 9.9 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 121.067 0.461 . . . . 0.0 111.534 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 74.9 m-85 -114.97 152.7 31.93 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.2 1.0 . . . . 0.0 113.648 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.637 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.9 m -137.86 145.16 41.86 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.866 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.6 t -84.6 127.8 34.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -82.43 29.03 0.44 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.96 -50.83 1.03 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.517 -1.22 . . . . 0.0 113.421 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.23 5.81 14.85 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt 55.01 28.32 10.55 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.637 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -64.92 155.14 35.33 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.524 1.13 . . . . 0.0 113.747 175.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.16 133.35 55.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.217 -0.902 . . . . 0.0 112.842 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.28 109.04 0.36 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.111 1.364 . . . . 0.0 114.191 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 17.7 ptp180 -63.01 -28.98 70.48 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 169.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 p -89.04 125.68 35.1 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.527 1.156 . . . . 0.0 114.01 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.65 44.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 113.542 -1.663 . . . . 0.0 115.029 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.15 -48.0 68.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 174.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.56 -10.68 59.73 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -59.4 2.2 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.442 1.097 . . . . 0.0 110.795 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.11 -51.2 57.25 Favored Glycine 0 N--CA 1.48 1.62 0 C-N-CA 123.766 0.698 . . . . 0.0 112.33 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -31.81 69.28 Favored Glycine 0 CA--C 1.539 1.572 0 CA-C-N 114.214 -0.993 . . . . 0.0 113.506 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.601 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.3 t60 -72.28 -41.88 66.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -32.48 72.66 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.64 -42.45 88.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.754 0.822 . . . . 0.0 112.823 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.67 -23.4 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 175.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.453 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.9 m-70 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 121.311 0.577 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 67.4 m-85 -111.78 147.38 35.81 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.781 171.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.593 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 13.5 m -133.97 146.71 50.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 113.08 -1.873 . . . . 0.0 110.805 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.3 t -85.75 130.1 34.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 p -80.21 14.53 1.88 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -50.75 2.66 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 p -115.73 6.6 14.47 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.53 33.74 14.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -177.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -66.48 160.55 24.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.786 1.235 . . . . 0.0 113.932 176.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.33 131.31 53.04 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.08 109.35 0.47 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.261 1.424 . . . . 0.0 114.56 178.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -61.39 -33.44 73.67 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.583 -0.698 . . . . 0.0 112.703 167.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 p -84.47 128.36 34.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.2 -42.87 61.19 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 112.797 -2.002 . . . . 0.0 114.428 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -50.48 -43.14 55.41 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.21 29.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.941 0.776 . . . . 0.0 112.433 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -61.54 2.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.828 0.851 . . . . 0.0 112.904 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.47 -51.25 57.53 Favored Glycine 0 N--CA 1.482 1.76 0 C-N-CA 123.715 0.674 . . . . 0.0 112.82 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.54 -28.64 67.94 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.349 -0.926 . . . . 0.0 113.656 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.615 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -172.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -33.43 71.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.839 173.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -58.98 -41.86 88.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.952 0.901 . . . . 0.0 112.725 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 24' ' ' HIS . 2.2 p -63.38 -25.83 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 13.7 p . . . . . 0 N--CA 1.472 0.671 0 CA-C-O 121.592 0.71 . . . . 0.0 111.767 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 59.3 m-85 -108.84 148.5 30.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.799 -1.091 . . . . 0.0 113.125 173.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.723 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 66.7 m -136.65 142.24 43.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.446 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.452 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.5 t -80.99 129.74 34.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -82.44 21.22 0.98 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -50.14 2.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.346 1.058 . . . . 0.0 113.351 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -116.79 4.93 13.01 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.73 46.03 24.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.723 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.1 mmt180 -82.35 154.3 25.34 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.249 -1.341 . . . . 0.0 113.638 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -115.91 134.63 54.78 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.53 108.31 0.33 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.078 1.351 . . . . 0.0 113.898 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.515 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 2.9 mpt_? -61.05 -34.74 75.35 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.946 0.879 . . . . 0.0 111.701 168.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 29.7 p -83.58 122.44 28.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.453 1.501 . . . . 0.0 114.372 -173.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.37 -33.73 44.52 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.597 -1.638 . . . . 0.0 114.725 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 1.0 OUTLIER -55.7 -37.84 68.9 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.33 -24.31 22.03 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.731 -1.122 . . . . 0.0 113.122 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -57.94 3.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.843 0.857 . . . . 0.0 112.431 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.77 52.84 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 123.711 0.672 . . . . 0.0 112.388 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -29.77 65.57 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 113.853 -1.173 . . . . 0.0 113.715 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.643 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.1 t60 -74.24 -40.74 62.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -172.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -35.19 73.07 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.694 174.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.78 -39.41 80.99 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.4 p -64.0 -25.5 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 175.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 123.431 0.693 . . . . 0.0 109.521 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 p . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -98.82 148.58 23.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.543 1.152 . . . . 0.0 112.436 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 82.0 m -135.33 141.51 45.62 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.261 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.9 t -77.98 129.12 34.91 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 p -81.14 19.58 0.9 Allowed 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -51.37 2.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.225 1.01 . . . . 0.0 113.706 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -115.48 4.43 14.26 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 56.07 26.94 10.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.632 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -70.58 150.65 45.86 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.95 136.18 54.22 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -173.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.33 117.8 0.75 Allowed 'General case' 0 N--CA 1.484 1.258 0 O-C-N 125.156 1.535 . . . . 0.0 113.39 -179.218 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.91 -39.65 93.85 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.615 0.722 . . . . 0.0 112.002 167.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -76.92 122.07 24.34 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -173.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.3 47.94 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 113.34 -1.755 . . . . 0.0 114.343 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -54.57 -47.16 73.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.178 0.991 . . . . 0.0 112.63 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.93 -45.1 62.34 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.179 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -59.47 4.81 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.256 1.022 . . . . 0.0 112.698 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -52.58 49.85 Favored Glycine 0 N--CA 1.48 1.619 0 C-N-CA 123.734 0.683 . . . . 0.0 112.439 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.45 64.97 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 114.199 -1.001 . . . . 0.0 113.656 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.621 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.3 t60 -74.59 -40.47 61.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -173.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -34.52 73.68 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.542 174.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.66 -37.27 75.61 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.683 0.793 . . . . 0.0 113.062 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.51 -21.2 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 174.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 . . . . . 0 N--CA 1.453 -0.319 0 C-N-CA 123.618 0.767 . . . . 0.0 109.653 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -119.5 149.11 42.43 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.504 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.683 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 57.9 m -136.37 142.11 43.75 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.725 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.5 t -81.15 129.25 34.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -81.32 20.51 0.85 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.2 -52.42 2.07 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.249 1.02 . . . . 0.0 113.321 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.9 p -114.91 7.89 15.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? 52.01 35.66 16.66 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.308 1.843 . . . . 0.0 115.689 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.683 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -75.14 153.99 37.95 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.31 131.78 54.4 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -177.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.12 113.64 1.22 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.218 1.407 . . . . 0.0 113.886 -178.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.68 -25.7 66.68 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -95.55 126.2 40.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.509 1.123 . . . . 0.0 113.635 -174.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.42 -34.69 58.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.721 -1.581 . . . . 0.0 114.394 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -54.62 -37.27 65.42 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.189 1.396 . . . . 0.0 112.731 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.56 5.21 46.08 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.18 -58.19 1.94 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.901 0.88 . . . . 0.0 109.915 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.25 -51.44 55.96 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.489 0.566 . . . . 0.0 112.061 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.79 65.58 Favored Glycine 0 CA--C 1.54 1.648 0 CA-C-N 114.094 -1.053 . . . . 0.0 113.868 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.618 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.4 t60 -74.25 -40.06 62.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -174.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -36.01 73.91 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.501 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.6 -38.39 74.83 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.438 0.695 . . . . 0.0 112.795 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -65.4 -20.95 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 175.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.421 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 123.416 0.686 . . . . 0.0 109.617 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.9 p . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -122.28 147.16 46.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.27 1.033 . . . . 0.0 111.792 170.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 95.0 m -128.51 144.81 51.21 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 112.868 -1.969 . . . . 0.0 108.931 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.8 t -82.6 131.22 35.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 173.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 p -80.73 14.06 2.31 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.57 -49.1 2.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -117.45 7.78 12.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 21.17 4.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.611 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -61.22 152.52 28.65 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.607 1.163 . . . . 0.0 112.94 177.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.67 135.44 54.97 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.55 113.26 0.61 Allowed 'General case' 0 N--CA 1.483 1.213 0 O-C-N 125.308 1.63 . . . . 0.0 113.192 178.336 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 64.6 ttt-85 -67.75 -34.86 77.66 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.605 -0.684 . . . . 0.0 112.292 170.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 19.5 p -75.35 115.24 14.79 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.727 1.211 . . . . 0.0 113.783 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.86 -36.13 11.52 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.404 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 0.7 OUTLIER -54.07 -46.94 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.069 1.136 . . . . 0.0 114.069 173.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.26 -26.81 60.44 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.9 -1.045 . . . . 0.0 113.324 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -61.1 1.92 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.776 1.231 . . . . 0.0 111.771 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.16 -51.81 51.52 Favored Glycine 0 N--CA 1.481 1.672 0 C-N-CA 124.036 0.826 . . . . 0.0 112.796 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -30.13 67.24 Favored Glycine 0 CA--C 1.54 1.643 0 CA-C-N 114.066 -1.067 . . . . 0.0 113.487 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.4 t60 -72.45 -42.07 65.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -172.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -34.08 73.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.342 175.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.78 -39.69 81.79 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -64.13 -25.9 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 174.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 . . . . . 0 N--CA 1.451 -0.376 0 C-N-CA 123.814 0.846 . . . . 0.0 109.688 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.1 m-85 -118.85 146.22 45.04 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.581 -1.19 . . . . 0.0 113.403 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.5 m -135.26 148.77 49.66 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.252 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -91.62 125.2 36.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -76.79 21.4 0.21 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 -45.68 2.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -122.48 8.83 9.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -176.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.09 43.92 11.29 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 117.19 2.293 . . . . 0.0 117.19 -174.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.596 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.7 mmt180 -74.81 161.38 29.64 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -124.72 132.23 53.4 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -172.48 97.23 0.15 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -57.68 -29.96 65.06 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.925 -1.11 . . . . 0.0 112.332 170.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -81.22 120.74 25.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.95 1.3 . . . . 0.0 114.249 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.73 -33.48 48.21 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.793 -1.549 . . . . 0.0 114.449 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -42.66 55.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.902 1.681 . . . . 0.0 112.361 174.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.61 -24.55 19.52 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.461 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -60.14 2.54 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.782 0.833 . . . . 0.0 112.123 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.56 -50.34 63.61 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 123.709 0.671 . . . . 0.0 112.716 -176.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -31.18 68.24 Favored Glycine 0 CA--C 1.54 1.61 0 CA-C-N 114.228 -0.986 . . . . 0.0 113.722 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.7 t60 -73.89 -38.94 64.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -172.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -33.68 72.46 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 173.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -58.08 -44.65 87.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.655 0.782 . . . . 0.0 112.2 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -60.25 -26.34 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 176.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 82.2 m-85 -107.5 147.98 29.8 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.41 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 51.8 m -134.22 144.39 48.4 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.625 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 40.4 t -85.34 126.54 33.82 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 p -81.05 24.97 0.48 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.17 -51.08 1.66 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.633 1.173 . . . . 0.0 113.344 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -117.32 4.48 12.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 51.71 37.97 21.6 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 -175.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.652 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.6 OUTLIER -69.97 156.93 38.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.229 1.411 . . . . 0.0 113.781 175.198 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -121.23 133.14 55.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.71 105.39 0.35 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 178.416 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -62.57 -27.12 68.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 167.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -88.47 120.7 30.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.793 1.237 . . . . 0.0 113.314 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.87 28.73 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 113.953 -1.476 . . . . 0.0 114.778 176.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -54.76 -39.39 68.3 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.91 1.284 . . . . 0.0 113.422 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.82 3.8 53.4 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.76 -60.68 1.48 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.165 0.986 . . . . 0.0 110.064 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.45 63.45 Favored Glycine 0 N--CA 1.483 1.786 0 C-N-CA 123.545 0.593 . . . . 0.0 112.054 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.34 -32.23 63.69 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 113.851 -1.175 . . . . 0.0 113.409 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.623 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.3 t60 -73.28 -44.72 58.73 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.09 69.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.94 -38.46 82.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.2 p -67.27 -16.7 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 124.258 1.023 . . . . 0.0 109.555 174.354 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.591 0.234 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 66.0 m-85 -119.2 151.76 37.8 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.174 0.921 . . . . 0.0 113.483 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 97.3 m -141.01 142.53 34.24 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.755 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.491 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 20.7 t -78.94 138.86 38.28 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -87.4 14.32 8.26 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.67 -48.95 2.66 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -114.96 -1.46 13.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 54.89 29.55 12.27 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -175.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.616 ' O ' ' HA ' ' A' ' 7' ' ' THR . 5.5 mtp85 -66.32 153.36 42.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -121.53 131.1 53.95 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -163.94 112.73 1.2 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 113.967 -1.47 . . . . 0.0 112.907 -177.193 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -46.99 88.05 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.676 -0.64 . . . . 0.0 111.319 168.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 p -68.63 116.42 9.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.756 1.222 . . . . 0.0 114.239 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.86 -35.56 6.5 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 173.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.7 -42.54 71.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.151 0.98 . . . . 0.0 113.558 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.49 3.94 52.49 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 -58.01 1.95 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.39 1.076 . . . . 0.0 109.736 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.98 59.2 Favored Glycine 0 N--CA 1.481 1.658 0 C-N-CA 123.651 0.643 . . . . 0.0 112.084 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -30.84 68.09 Favored Glycine 0 CA--C 1.54 1.627 0 CA-C-N 114.302 -0.949 . . . . 0.0 113.652 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.656 ' CE1' ' NE2' ' A' ' 28' ' ' HIS . 20.7 t60 -72.89 -41.22 64.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -173.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.85 72.83 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 174.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.52 -42.34 82.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.637 0.775 . . . . 0.0 112.739 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.9 p -62.76 -26.91 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.656 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 72.4 m-85 -112.0 148.78 33.07 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.99 173.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 86.8 m -136.27 141.36 43.88 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.259 -1.791 . . . . 0.0 109.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.0 t -80.75 124.82 29.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -75.22 27.55 0.1 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 171.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.08 -50.27 0.95 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.3 p -116.3 5.78 13.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 51.88 33.67 11.97 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.807 2.521 . . . . 0.0 117.807 -175.415 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -74.23 152.76 39.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.236 1.014 . . . . 0.0 113.285 178.037 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.74 133.24 55.99 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.349 -0.842 . . . . 0.0 113.192 -173.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.98 104.99 0.23 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 125.102 1.501 . . . . 0.0 114.132 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.37 -29.68 69.08 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 169.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.1 p -85.45 123.74 31.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.661 1.185 . . . . 0.0 113.876 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -35.65 34.74 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.603 -1.635 . . . . 0.0 114.565 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.45 -45.96 62.87 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.805 1.242 . . . . 0.0 113.235 174.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.63 -1.58 57.41 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -58.55 2.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.888 0.875 . . . . 0.0 110.309 178.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.3 -51.9 53.12 Favored Glycine 0 N--CA 1.483 1.819 0 C-N-CA 123.628 0.633 . . . . 0.0 112.025 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.37 -30.03 64.12 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 113.899 -1.151 . . . . 0.0 113.817 173.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.0 t60 -74.17 -41.35 61.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -174.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.65 -30.49 71.41 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.71 -39.54 81.07 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.774 0.83 . . . . 0.0 112.649 172.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.44 -14.43 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 175.163 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.3 m-70 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 123.473 0.709 . . . . 0.0 109.606 173.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.15 147.38 36.25 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.876 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 3.1 m -131.94 145.68 51.64 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 112.799 -2.001 . . . . 0.0 111.34 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.89 123.39 31.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -77.09 32.42 0.14 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 172.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.46 -50.38 0.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.902 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.7 p -118.48 10.02 12.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.02 43.19 25.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 118.964 -2.335 . . . . 0.0 115.491 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.627 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.97 159.33 24.92 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.107 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 133.12 52.17 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.81 111.11 0.44 Allowed 'General case' 0 N--CA 1.486 1.331 0 O-C-N 125.005 1.441 . . . . 0.0 113.67 178.456 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.83 -36.07 83.16 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 121.565 -0.709 . . . . 0.0 112.024 169.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 p -77.91 125.39 29.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.08 1.352 . . . . 0.0 114.531 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.78 60.72 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 113.613 -1.63 . . . . 0.0 114.484 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -53.78 -45.18 70.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.292 1.437 . . . . 0.0 112.371 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.34 -11.11 55.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -59.22 2.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.164 0.986 . . . . 0.0 110.854 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.44 61.11 Favored Glycine 0 N--CA 1.48 1.613 0 C-N-CA 123.754 0.692 . . . . 0.0 112.433 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -59.65 -31.41 71.06 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-N 114.073 -1.063 . . . . 0.0 113.593 173.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.602 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.2 t60 -73.55 -40.42 63.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -173.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -28.16 69.39 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 173.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 25.0 t-20 -61.46 -44.18 97.56 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 124.189 0.93 . . . . 0.0 111.955 173.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.6 p -64.14 -23.0 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 176.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.406 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 41.7 m . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 121.15 0.5 . . . . 0.0 112.107 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -95.0 149.0 21.73 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.045 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 4.9 m -130.24 149.04 52.11 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 113.154 -1.839 . . . . 0.0 110.901 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -89.74 124.26 34.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -77.74 27.42 0.17 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -49.7 1.39 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.923 0.889 . . . . 0.0 113.272 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.29 8.38 12.24 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? 54.04 28.18 8.46 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.58 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.9 mmt180 -64.05 159.37 20.35 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 176.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.84 133.14 49.37 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.863 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.08 106.93 0.51 Allowed 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.345 1.653 . . . . 0.0 113.781 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.55 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 36.2 ptt85 -63.88 -24.85 67.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 171.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 p -93.34 125.05 37.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 122.581 1.181 . . . . 0.0 113.541 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.58 46.42 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.586 -1.643 . . . . 0.0 115.417 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -55.42 -41.27 72.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.874 0.87 . . . . 0.0 113.13 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.39 -2.22 58.48 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -58.85 1.89 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.275 1.03 . . . . 0.0 110.085 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.21 62.79 Favored Glycine 0 N--CA 1.484 1.844 0 C-N-CA 123.579 0.609 . . . . 0.0 112.203 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.91 -30.0 68.88 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 114.344 -0.928 . . . . 0.0 113.723 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.6 t60 -74.84 -38.02 62.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -173.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -34.01 72.67 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 171.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.892 0.877 . . . . 0.0 113.078 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.9 OUTLIER -68.45 -24.43 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 172.135 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p . . . . . 0 N--CA 1.486 1.374 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 78.8 m-85 -112.07 152.03 28.69 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 122.232 1.015 . . . . 0.0 112.889 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.1 m -133.48 152.04 51.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.629 -2.078 . . . . 0.0 109.559 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 44.2 t -91.21 130.26 37.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -84.58 23.46 1.14 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.94 -48.21 1.89 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.795 -1.093 . . . . 0.0 113.051 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.0 p -119.51 6.87 11.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 49.06 36.32 8.5 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 117.318 2.34 . . . . 0.0 117.318 -176.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 7' ' ' THR . 11.1 ttt180 -74.99 159.37 31.87 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.655 0.782 . . . . 0.0 112.354 177.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.75 135.3 54.94 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.938 0.895 . . . . 0.0 113.311 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -171.44 109.88 0.29 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.447 1.499 . . . . 0.0 114.396 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 ptt-85 -65.97 -30.51 71.08 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 168.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 p -79.4 118.33 21.19 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.582 1.182 . . . . 0.0 113.646 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -33.4 37.48 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.775 -1.557 . . . . 0.0 114.087 173.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -47.86 62.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.511 1.525 . . . . 0.0 111.739 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -43.9 39.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 0.0 112.63 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -58.13 9.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.441 1.097 . . . . 0.0 112.733 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.63 -53.74 41.51 Favored Glycine 0 N--CA 1.482 1.753 0 C-N-CA 123.606 0.622 . . . . 0.0 112.367 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -28.99 64.67 Favored Glycine 0 CA--C 1.54 1.603 0 CA-C-N 114.049 -1.076 . . . . 0.0 113.761 175.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.619 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -72.7 -40.21 66.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -173.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.23 -28.95 70.09 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -59.69 -40.95 89.57 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.82 0.848 . . . . 0.0 112.529 171.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.98 -16.27 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 172.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 70.9 m-85 -118.93 145.99 45.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 114.31 -1.313 . . . . 0.0 112.071 171.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.598 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 91.4 m -132.84 146.76 52.1 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.588 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 40.0 t -84.84 129.48 34.81 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 176.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -80.93 19.1 0.9 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.16 -49.53 2.06 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.162 0.985 . . . . 0.0 113.576 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.8 p -116.8 4.9 13.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' CYS 0.255 0.5 OUTLIER 49.79 32.97 5.76 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.201 2.667 . . . . 0.0 118.201 -175.649 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.598 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.5 mmt180 -65.71 155.1 37.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.299 1.44 . . . . 0.0 113.141 173.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.42 132.66 54.47 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.904 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.61 103.28 0.42 Allowed 'General case' 0 N--CA 1.486 1.346 0 O-C-N 125.418 1.699 . . . . 0.0 114.554 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -60.94 -26.82 67.77 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 168.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -88.11 128.02 35.42 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.395 1.093 . . . . 0.0 113.945 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -39.18 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.609 -1.632 . . . . 0.0 114.884 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -52.04 -47.95 64.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.904 1.281 . . . . 0.0 112.726 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.71 -14.72 58.55 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -60.87 1.88 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.499 1.12 . . . . 0.0 111.013 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.87 -50.97 58.36 Favored Glycine 0 N--CA 1.482 1.708 0 C-N-CA 123.805 0.717 . . . . 0.0 112.508 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.07 66.43 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-N 114.031 -1.085 . . . . 0.0 113.527 174.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.632 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -73.89 -41.51 62.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -173.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.86 73.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.875 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -57.97 -37.09 73.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.5 p -67.58 -25.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 175.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 123.96 0.904 . . . . 0.0 109.541 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 80.8 m-85 -122.14 148.31 45.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.993 -1.003 . . . . 0.0 113.156 170.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 54.8 m -133.28 145.22 50.28 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.202 -1.817 . . . . 0.0 110.189 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.3 t -82.79 130.16 35.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p -83.26 22.17 1.04 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.02 -49.58 1.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.255 1.022 . . . . 0.0 113.577 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.0 p -117.13 6.13 12.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? 55.63 23.95 6.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.61 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -66.4 154.35 40.36 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.155 0.982 . . . . 0.0 113.432 178.317 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.56 135.93 54.94 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.68 110.14 0.36 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.788 1.635 . . . . 0.0 113.462 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.317 -0.865 . . . . 0.0 112.801 169.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.7 p -79.2 125.45 29.47 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.57 -40.67 65.81 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.376 -1.738 . . . . 0.0 114.336 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.09 -53.65 6.2 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.65 -45.65 64.73 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.215 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -58.95 5.56 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.131 0.972 . . . . 0.0 112.448 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.78 -54.22 38.18 Favored Glycine 0 N--CA 1.481 1.692 0 C-N-CA 123.622 0.629 . . . . 0.0 112.348 -176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.46 -28.97 65.64 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 114.018 -1.091 . . . . 0.0 113.589 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.637 ' O ' HG12 ' A' ' 27' ' ' VAL . 37.6 t60 -72.36 -43.22 64.33 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -173.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 tpt -65.15 -28.22 69.26 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.84 -39.12 84.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.087 0.955 . . . . 0.0 113.152 170.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.1 p -66.76 -22.61 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.457 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.7 m-70 . . . . . 0 N--CA 1.453 -0.321 0 C-N-CA 123.717 0.807 . . . . 0.0 109.6 173.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 68.4 m-85 -111.01 146.6 36.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.783 170.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.665 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 36.7 m -137.64 143.33 41.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.599 -1.637 . . . . 0.0 111.272 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.4 t -82.5 129.94 35.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.2 p -82.14 19.82 1.12 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.29 -50.47 2.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.278 1.031 . . . . 0.0 113.393 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -117.28 4.6 12.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 51.53 38.25 21.75 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 -175.141 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.665 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -70.49 155.86 40.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.141 1.376 . . . . 0.0 113.304 175.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.86 128.58 49.7 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.35 105.82 0.88 Allowed 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 123.289 1.518 . . . . 0.0 114.821 -179.184 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -60.26 -25.6 65.81 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.376 -1.283 . . . . 0.0 113.509 168.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.465 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 59.2 p -100.09 126.49 46.33 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.481 1.112 . . . . 0.0 113.874 -173.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.54 -34.53 58.53 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 113.728 -1.578 . . . . 0.0 114.829 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.465 ' HG2' ' HB2' ' A' ' 17' ' ' SER . 9.4 pt20 -51.7 -40.38 60.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.833 1.253 . . . . 0.0 113.707 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.56 9.35 42.64 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.55 -59.0 1.78 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.946 0.898 . . . . 0.0 109.427 177.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.35 57.54 Favored Glycine 0 N--CA 1.481 1.681 0 C-N-CA 123.418 0.532 . . . . 0.0 111.87 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.53 66.44 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.988 -1.106 . . . . 0.0 113.705 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.616 ' O ' HG12 ' A' ' 27' ' ' VAL . 38.5 t60 -73.18 -40.99 64.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -174.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.33 -30.93 71.51 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 175.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -60.07 -36.59 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.54 0.736 . . . . 0.0 112.908 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -68.88 -14.56 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.226 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 . . . . . 0 N--CA 1.453 -0.302 0 C-N-CA 123.421 0.688 . . . . 0.0 109.571 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -101.27 145.83 28.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 113.885 -1.507 . . . . 0.0 111.43 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 96.9 m -132.23 145.4 51.3 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.193 -1.821 . . . . 0.0 109.607 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 42.0 t -83.75 135.94 34.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -82.57 7.39 14.7 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.22 -42.83 4.06 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -123.96 2.95 8.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 52.19 31.45 9.15 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 118.412 2.745 . . . . 0.0 118.412 -174.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.63 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mmt-85 -63.62 150.8 43.32 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 172.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -118.67 135.23 54.58 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.439 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -163.17 127.11 2.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.815 1.322 . . . . 0.0 113.746 178.038 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.6 ttt-85 -97.53 61.2 1.63 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.386 1.089 . . . . 0.0 110.946 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -168.89 138.74 2.27 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.661 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.36 74.86 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.719 -1.582 . . . . 0.0 113.048 173.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -58.62 -53.33 59.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.405 1.082 . . . . 0.0 111.882 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.84 87.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 175.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -57.86 10.28 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.333 1.053 . . . . 0.0 112.372 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -52.23 52.14 Favored Glycine 0 N--CA 1.48 1.626 0 C-N-CA 124.005 0.812 . . . . 0.0 112.47 -176.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -60.04 -28.87 67.01 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 114.285 -0.957 . . . . 0.0 113.418 175.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.589 ' O ' HG12 ' A' ' 27' ' ' VAL . 54.5 t60 -74.99 -42.17 58.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -32.59 72.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.493 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 23.5 t-20 -55.72 -46.04 77.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 117.839 -1.076 . . . . 0.0 111.995 173.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -63.52 -22.43 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 178.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 172.006 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 93.6 m-85 -99.01 152.17 20.11 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.1 m -137.39 151.93 49.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.318 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -92.43 128.73 38.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p -80.9 17.67 1.15 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 174.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -42.99 2.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -126.13 9.75 7.43 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.79 28.71 3.8 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 -176.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.545 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -64.08 158.29 23.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.973 1.309 . . . . 0.0 113.731 176.414 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.4 134.4 49.91 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -167.49 109.53 0.63 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.633 1.573 . . . . 0.0 114.267 -178.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.52 75.2 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.288 -0.869 . . . . 0.0 113.133 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.7 p -83.4 122.96 29.18 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.777 1.275 . . . . 0.0 114.008 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.63 -36.18 56.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.109 -1.86 . . . . 0.0 114.839 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.21 -49.28 72.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.282 0.633 . . . . 0.0 112.472 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.22 74.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.926 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -57.91 10.25 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.012 0.925 . . . . 0.0 112.305 179.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.1 -53.29 43.57 Favored Glycine 0 N--CA 1.481 1.69 0 C-N-CA 123.71 0.671 . . . . 0.0 112.295 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.3 67.94 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-N 114.295 -0.953 . . . . 0.0 113.67 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.627 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.8 t60 -73.48 -41.38 63.21 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -172.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 tpt -63.01 -29.88 71.17 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.2 -39.36 86.29 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.862 0.865 . . . . 0.0 112.631 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -67.81 -11.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 174.572 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 123.576 0.751 . . . . 0.0 109.585 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.469 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -120.08 145.41 39.89 Favored Pre-proline 0 N--CA 1.482 1.172 1 C-N-CA 109.564 -4.854 . . . . 0.0 113.267 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -66.79 155.96 68.19 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.798 2.332 . . . . 0.0 112.07 172.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -67.15 -170.94 0.26 Allowed 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.793 2.329 . . . . 0.0 112.051 171.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 60.98 83.75 0.14 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.801 1.64 . . . . 0.0 113.315 -171.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.8 p 55.52 162.49 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 111.858 -2.428 . . . . 0.0 112.509 -169.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -118.78 143.93 46.61 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.31 172.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.676 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.4 m -127.76 139.34 52.73 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 113.106 -1.861 . . . . 0.0 110.052 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.6 t -76.87 128.94 35.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 p -82.66 23.68 0.78 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.85 -54.56 1.83 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.702 1.201 . . . . 0.0 112.684 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -112.95 3.56 16.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.57 28.1 13.4 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 119.008 2.966 . . . . 0.0 119.008 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.676 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -62.68 154.35 29.59 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.68 130.52 56.4 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.939 -1.028 . . . . 0.0 113.028 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -165.59 109.01 0.82 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 114.435 -1.257 . . . . 0.0 114.2 176.196 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 18.4 ptt-85 -64.03 -26.91 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 168.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 p -89.48 124.18 34.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.776 1.274 . . . . 0.0 113.646 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.89 -34.0 58.17 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.429 -1.714 . . . . 0.0 114.262 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.96 -49.15 66.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.857 1.263 . . . . 0.0 112.107 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.77 61.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.695 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -58.05 8.95 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.226 1.011 . . . . 0.0 112.388 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.37 -53.47 42.93 Favored Glycine 0 N--CA 1.481 1.651 0 C-N-CA 123.77 0.7 . . . . 0.0 112.475 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -59.67 -29.75 67.65 Favored Glycine 0 CA--C 1.54 1.609 0 CA-C-N 114.286 -0.957 . . . . 0.0 113.604 175.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.4 t60 -73.05 -41.53 64.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -172.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.42 72.63 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 27.5 t-20 -58.28 -43.77 88.15 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.301 1.041 . . . . 0.0 112.583 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.06 -23.35 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.445 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 -81.51 -79.84 0.16 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 172.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 45.26 32.18 0.94 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -105.41 117.54 34.27 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 55.68 179.81 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 114.144 -1.389 . . . . 0.0 112.949 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.41 -51.39 0.43 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 29.89 87.22 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.9 2.48 . . . . 0.0 114.359 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 71.28 -38.49 0.42 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.787 2.035 . . . . 0.0 113.87 -173.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tt 66.72 -47.23 0.45 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 128.543 2.737 . . . . 0.0 113.563 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -157.84 -44.74 0.06 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.891 1.677 . . . . 0.0 112.297 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -156.51 149.71 24.24 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-O 116.857 -1.544 . . . . 0.0 113.303 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.924 0 CA-C-N 121.663 2.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 1.382 ' O ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.239 0.505 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 1.382 ' CD1' ' O ' ' A' ' 0' ' ' ACE . 67.6 p-90 159.02 139.91 0.0 OUTLIER Pre-proline 0 N--CA 1.479 1.019 1 C-N-CA 109.568 -4.853 . . . . 0.0 115.2 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -67.58 145.12 69.17 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.854 2.369 . . . . 0.0 113.182 -177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -61.73 -22.72 75.03 Favored 'Trans proline' 0 N--CA 1.482 0.8 0 C-N-CA 123.301 2.667 . . . . 0.0 114.474 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.56 132.15 55.68 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.447 1.099 . . . . 0.0 110.162 173.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m 60.63 147.68 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.015 1.726 . . . . 0.0 114.839 -176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 69.9 m-85 -117.02 146.8 42.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.987 -1.006 . . . . 0.0 113.617 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.688 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 26.8 m -137.39 142.01 41.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 113.246 -1.797 . . . . 0.0 111.213 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.8 t -82.22 129.91 34.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -83.07 23.47 0.86 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -50.53 1.77 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.338 1.055 . . . . 0.0 113.394 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.52 5.74 13.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -177.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 40.57 22.09 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.688 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.3 mmt180 -74.78 157.32 35.39 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.068 1.347 . . . . 0.0 113.532 176.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.51 131.71 53.48 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -177.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.67 101.66 0.32 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.866 1.666 . . . . 0.0 114.502 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' NH2' ' HB3' ' A' ' 17' ' ' SER . 0.0 OUTLIER -63.46 -23.44 67.4 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.656 -1.278 . . . . 0.0 114.181 171.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.487 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 35.5 p -84.57 123.48 30.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.082 1.353 . . . . 0.0 114.056 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.65 -34.73 52.94 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 113.762 -1.563 . . . . 0.0 114.427 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -52.35 -43.59 64.73 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.691 1.196 . . . . 0.0 113.99 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.12 5.95 50.42 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 -57.93 2.0 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.823 0.849 . . . . 0.0 109.854 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.45 62.42 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.534 0.588 . . . . 0.0 112.202 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.45 -32.43 72.9 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 114.357 -0.922 . . . . 0.0 113.666 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.639 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -72.87 -41.14 65.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -33.44 70.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.899 174.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.03 -38.97 88.0 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -63.31 -26.38 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.45 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 -82.98 48.38 1.35 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.128 0.571 . . . . 0.0 109.567 177.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -171.73 92.16 0.14 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 127.218 2.207 . . . . 0.0 113.33 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -97.95 83.37 3.13 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.334 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -162.14 152.63 17.18 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 113.246 -1.797 . . . . 0.0 110.374 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 68.63 -78.01 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.12 1.768 . . . . 0.0 112.421 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.39 -90.5 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.726 1.61 . . . . 0.0 109.937 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -167.24 113.2 0.75 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.293 1.437 . . . . 0.0 107.424 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 64.87 162.06 0.13 Allowed 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 113.894 -1.503 . . . . 0.0 113.76 -172.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -65.96 144.81 56.53 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 114.401 -1.272 . . . . 0.0 111.609 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.1 tp -68.32 -38.12 81.26 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 117.177 -1.392 . . . . 0.0 113.246 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 121.487 1.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.44 ' O ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.238 0.467 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.419 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 2.7 p-90 -54.96 106.31 0.65 Allowed Pre-proline 0 CA--C 1.554 1.099 1 C-N-CA 109.512 -4.875 . . . . 0.0 114.614 . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 0' ' ' ACE . 72.7 Cg_endo -69.25 151.84 71.98 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.726 2.284 . . . . 0.0 111.577 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -57.64 -15.8 22.0 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.161 2.574 . . . . 0.0 116.138 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -108.65 29.27 7.58 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 9.9 t -170.28 150.88 3.69 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.19 0.996 . . . . 0.0 111.534 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 74.9 m-85 -114.97 152.7 31.93 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.2 1.0 . . . . 0.0 113.648 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.637 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 53.9 m -137.86 145.16 41.86 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.866 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.6 t -84.6 127.8 34.26 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -82.43 29.03 0.44 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.96 -50.83 1.03 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.517 -1.22 . . . . 0.0 113.421 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.23 5.81 14.85 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt 55.01 28.32 10.55 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.637 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -64.92 155.14 35.33 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.524 1.13 . . . . 0.0 113.747 175.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.16 133.35 55.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.217 -0.902 . . . . 0.0 112.842 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.28 109.04 0.36 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.111 1.364 . . . . 0.0 114.191 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 17.7 ptp180 -63.01 -28.98 70.48 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 169.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 p -89.04 125.68 35.1 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.527 1.156 . . . . 0.0 114.01 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.65 44.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 113.542 -1.663 . . . . 0.0 115.029 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.15 -48.0 68.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 174.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.56 -10.68 59.73 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -59.4 2.2 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.442 1.097 . . . . 0.0 110.795 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.11 -51.2 57.25 Favored Glycine 0 N--CA 1.48 1.62 0 C-N-CA 123.766 0.698 . . . . 0.0 112.33 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -31.81 69.28 Favored Glycine 0 CA--C 1.539 1.572 0 CA-C-N 114.214 -0.993 . . . . 0.0 113.506 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.601 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.3 t60 -72.28 -41.88 66.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -32.48 72.66 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.64 -42.45 88.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.754 0.822 . . . . 0.0 112.823 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -64.67 -23.4 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 175.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.453 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.9 m-70 -81.03 -83.67 0.11 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 172.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 160.01 103.45 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 128.157 2.583 . . . . 0.0 110.473 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.76 136.26 50.7 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.759 174.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -64.7 135.72 56.18 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.25 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.85 100.25 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 O-C-N 125.513 1.758 . . . . 0.0 112.689 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.8 137.54 51.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.677 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.436 HH11 ' HG3' ' A' ' 36' ' ' ARG . 5.4 ttt-85 -167.24 -50.06 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.851 1.344 . . . . 0.0 113.626 -176.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 tp 55.92 77.43 0.24 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 123.403 1.573 . . . . 0.0 111.905 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.436 ' HG3' HH11 ' A' ' 34' ' ' ARG . 0.0 OUTLIER -122.7 127.75 49.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 112.959 -1.928 . . . . 0.0 110.56 -171.722 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -129.77 -37.43 1.54 Allowed 'General case' 0 C--O 1.251 1.152 0 CA-C-O 117.199 -1.381 . . . . 0.0 113.316 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.893 0 CA-C-N 121.396 1.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.689 ' O ' ' O ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.485 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.689 ' O ' ' O ' ' A' ' 0' ' ' ACE . 30.5 m95 13.63 134.15 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.076 1 C-N-CA 109.525 -4.87 . . . . 0.0 112.424 . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -64.73 146.77 89.16 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.044 2.496 . . . . 0.0 112.18 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -74.29 73.57 3.86 Favored 'Trans proline' 0 N--CA 1.48 0.712 0 C-N-CA 122.814 2.343 . . . . 0.0 111.114 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.8 157.59 33.61 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.888 -172.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 p -75.12 141.47 43.74 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.209 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 67.4 m-85 -111.78 147.38 35.81 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.781 171.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.593 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 13.5 m -133.97 146.71 50.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 113.08 -1.873 . . . . 0.0 110.805 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.3 t -85.75 130.1 34.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 p -80.21 14.53 1.88 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -50.75 2.66 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 p -115.73 6.6 14.47 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.53 33.74 14.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -177.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -66.48 160.55 24.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.786 1.235 . . . . 0.0 113.932 176.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.33 131.31 53.04 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.08 109.35 0.47 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.261 1.424 . . . . 0.0 114.56 178.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -61.39 -33.44 73.67 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.583 -0.698 . . . . 0.0 112.703 167.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 p -84.47 128.36 34.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.2 -42.87 61.19 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 112.797 -2.002 . . . . 0.0 114.428 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -50.48 -43.14 55.41 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.21 29.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.941 0.776 . . . . 0.0 112.433 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -61.54 2.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.828 0.851 . . . . 0.0 112.904 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.47 -51.25 57.53 Favored Glycine 0 N--CA 1.482 1.76 0 C-N-CA 123.715 0.674 . . . . 0.0 112.82 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.54 -28.64 67.94 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.349 -0.926 . . . . 0.0 113.656 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.615 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.8 t60 -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -172.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -33.43 71.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.839 173.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -58.98 -41.86 88.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.952 0.901 . . . . 0.0 112.725 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 24' ' ' HIS . 2.2 p -63.38 -25.83 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 -82.33 48.07 1.23 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -173.86 83.51 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 125.878 1.671 . . . . 0.0 112.943 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -173.16 166.54 4.92 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 113.942 -1.481 . . . . 0.0 111.945 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.53 136.32 33.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.457 171.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.93 91.45 5.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.592 0.711 . . . . 0.0 110.471 -178.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.5 143.54 38.39 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 113.739 -1.573 . . . . 0.0 113.112 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -142.09 157.39 44.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.536 1.134 . . . . 0.0 112.086 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 tp 61.86 107.93 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.156 1.782 . . . . 0.0 114.221 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.57 89.08 2.99 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.74 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -167.3 155.7 9.62 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 113.168 -1.833 . . . . 0.0 114.592 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 121.618 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.789 ' H2 ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.468 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.789 ' CD1' ' H2 ' ' A' ' 0' ' ' ACE . 27.5 m95 -116.07 132.72 23.1 Favored Pre-proline 0 N--CA 1.484 1.24 1 C-N-CA 109.438 -4.905 . . . . 0.0 112.833 . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.97 146.11 90.84 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.94 2.427 . . . . 0.0 113.215 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.42 -6.12 16.77 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.497 2.798 . . . . 0.0 115.326 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 157.92 25.87 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.271 1.028 . . . . 0.0 113.494 175.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 13.7 p -66.92 142.21 57.37 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.767 173.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 59.3 m-85 -108.84 148.5 30.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.799 -1.091 . . . . 0.0 113.125 173.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.723 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 66.7 m -136.65 142.24 43.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.446 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.452 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.5 t -80.99 129.74 34.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -82.44 21.22 0.98 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -50.14 2.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.346 1.058 . . . . 0.0 113.351 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -116.79 4.93 13.01 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.73 46.03 24.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.723 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.1 mmt180 -82.35 154.3 25.34 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.249 -1.341 . . . . 0.0 113.638 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -115.91 134.63 54.78 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.53 108.31 0.33 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.078 1.351 . . . . 0.0 113.898 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 2.9 mpt_? -61.05 -34.74 75.35 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.946 0.879 . . . . 0.0 111.701 168.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 29.7 p -83.58 122.44 28.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.453 1.501 . . . . 0.0 114.372 -173.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.37 -33.73 44.52 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.597 -1.638 . . . . 0.0 114.725 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 1.0 OUTLIER -55.7 -37.84 68.9 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.33 -24.31 22.03 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.731 -1.122 . . . . 0.0 113.122 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -57.94 3.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.843 0.857 . . . . 0.0 112.431 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.77 52.84 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 123.711 0.672 . . . . 0.0 112.388 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -29.77 65.57 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 113.853 -1.173 . . . . 0.0 113.715 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.643 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.1 t60 -74.24 -40.74 62.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -172.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -35.19 73.07 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.694 174.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.78 -39.41 80.99 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.4 p -64.0 -25.5 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 175.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -84.02 50.01 1.75 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.431 0.693 . . . . 0.0 109.521 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -171.02 117.65 0.47 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.423 2.289 . . . . 0.0 108.903 171.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.614 ' HB2' HH11 ' A' ' 30' ' ' ARG . 1.2 ttm105 50.46 52.55 14.6 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 123.52 1.628 . . . . 0.0 113.354 174.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -169.24 146.1 3.48 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 113.781 -1.554 . . . . 0.0 109.221 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.17 89.61 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.246 0.966 . . . . 0.0 109.917 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -169.48 -82.5 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 113.753 -1.567 . . . . 0.0 113.007 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG2' HG21 ' A' ' 27' ' ' VAL . 0.6 OUTLIER 61.11 174.89 0.11 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.195 1.398 . . . . 0.0 112.847 -170.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 40.91 78.83 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.155 1.782 . . . . 0.0 113.785 176.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.9 121.59 44.42 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.88 -176.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp -59.7 147.02 39.19 Favored 'General case' 0 C--O 1.253 1.26 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 121.311 1.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.806 ' H2 ' ' CD2' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.239 0.51 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.806 ' CD2' ' H2 ' ' A' ' 0' ' ' ACE . 5.3 m-90 -146.45 146.33 26.91 Favored Pre-proline 0 N--CA 1.48 1.054 1 C-N-CA 109.575 -4.85 . . . . 0.0 114.294 . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -66.15 151.18 84.29 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.927 2.418 . . . . 0.0 111.668 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -71.95 32.41 0.26 Allowed 'Trans proline' 0 CA--C 1.546 1.123 0 C-N-CA 123.664 2.909 . . . . 0.0 115.565 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.469 ' HG2' ' H ' ' A' ' 5' ' ' SER . 20.2 ttt180 -101.51 -152.28 0.43 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.469 ' H ' ' HG2' ' A' ' 4' ' ' ARG . 46.3 p -65.42 128.65 36.74 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.387 0.675 . . . . 0.0 111.542 175.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -98.82 148.58 23.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.543 1.152 . . . . 0.0 112.436 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 82.0 m -135.33 141.51 45.62 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.261 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.9 t -77.98 129.12 34.91 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 p -81.14 19.58 0.9 Allowed 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -51.37 2.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.225 1.01 . . . . 0.0 113.706 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -115.48 4.43 14.26 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 56.07 26.94 10.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.632 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -70.58 150.65 45.86 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.95 136.18 54.22 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -173.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.33 117.8 0.75 Allowed 'General case' 0 N--CA 1.484 1.258 0 O-C-N 125.156 1.535 . . . . 0.0 113.39 -179.218 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.91 -39.65 93.85 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.615 0.722 . . . . 0.0 112.002 167.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -76.92 122.07 24.34 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -173.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.3 47.94 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 113.34 -1.755 . . . . 0.0 114.343 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -54.57 -47.16 73.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.178 0.991 . . . . 0.0 112.63 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.93 -45.1 62.34 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.179 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -59.47 4.81 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.256 1.022 . . . . 0.0 112.698 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -52.58 49.85 Favored Glycine 0 N--CA 1.48 1.619 0 C-N-CA 123.734 0.683 . . . . 0.0 112.439 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.45 64.97 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 114.199 -1.001 . . . . 0.0 113.656 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.621 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.3 t60 -74.59 -40.47 61.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -173.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -34.52 73.68 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.542 174.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.66 -37.27 75.61 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.683 0.793 . . . . 0.0 113.062 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.51 -21.2 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 174.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.447 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 -88.85 45.81 1.33 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.618 0.767 . . . . 0.0 109.653 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -171.13 94.25 0.18 Allowed 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.125 0.964 . . . . 0.0 112.323 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.464 HH21 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -158.75 143.34 15.85 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 113.927 -1.488 . . . . 0.0 112.613 172.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -125.04 -92.51 0.51 Allowed 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 113.496 -1.684 . . . . 0.0 107.286 172.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -132.15 113.6 13.5 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.928 0.891 . . . . 0.0 109.024 165.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.55 -86.22 0.65 Allowed 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.111 -1.404 . . . . 0.0 110.043 172.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.9 99.83 0.77 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 176.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.3 tp 65.92 146.4 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.7 1.6 . . . . 0.0 113.121 -171.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.36 138.66 7.67 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.537 171.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD12 HH21 ' A' ' 30' ' ' ARG . 81.7 mt 47.25 83.16 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.866 0 O-C-N 120.358 -1.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 1.004 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.238 0.493 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.488 ' C ' ' O ' ' A' ' 0' ' ' ACE . 17.6 t-105 0.18 81.09 0.04 OUTLIER Pre-proline 0 CA--C 1.557 1.215 1 C-N-CA 109.573 -4.851 . . . . 0.0 114.107 . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 1.004 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 94.4 Cg_endo -76.24 158.04 37.4 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 122.688 2.259 . . . . 0.0 111.625 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -61.79 -11.03 19.02 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.124 2.549 . . . . 0.0 115.365 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -159.97 139.96 11.55 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.689 1.596 . . . . 0.0 106.719 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p 73.52 160.03 0.23 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 127.389 2.275 . . . . 0.0 114.067 -174.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -119.5 149.11 42.43 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.504 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.683 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 57.9 m -136.37 142.11 43.75 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.725 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.5 t -81.15 129.25 34.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -81.32 20.51 0.85 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.2 -52.42 2.07 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.249 1.02 . . . . 0.0 113.321 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.9 p -114.91 7.89 15.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? 52.01 35.66 16.66 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.308 1.843 . . . . 0.0 115.689 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.683 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -75.14 153.99 37.95 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.31 131.78 54.4 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -177.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.12 113.64 1.22 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.218 1.407 . . . . 0.0 113.886 -178.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.68 -25.7 66.68 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 p -95.55 126.2 40.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.509 1.123 . . . . 0.0 113.635 -174.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.42 -34.69 58.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.721 -1.581 . . . . 0.0 114.394 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -54.62 -37.27 65.42 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.189 1.396 . . . . 0.0 112.731 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.56 5.21 46.08 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.18 -58.19 1.94 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.901 0.88 . . . . 0.0 109.915 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.25 -51.44 55.96 Favored Glycine 0 N--CA 1.481 1.696 0 C-N-CA 123.489 0.566 . . . . 0.0 112.061 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.79 65.58 Favored Glycine 0 CA--C 1.54 1.648 0 CA-C-N 114.094 -1.053 . . . . 0.0 113.868 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.618 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.4 t60 -74.25 -40.06 62.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -174.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -36.01 73.91 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.501 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.6 -38.39 74.83 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.438 0.695 . . . . 0.0 112.795 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -65.4 -20.95 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 175.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.421 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -89.88 48.69 1.61 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.416 0.686 . . . . 0.0 109.617 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -171.85 97.89 0.17 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.301 1.84 . . . . 0.0 109.107 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 -157.91 148.13 20.44 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.171 -1.377 . . . . 0.0 109.014 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 62.14 154.21 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.901 2.081 . . . . 0.0 113.72 -172.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 3.4 tpt180 -131.64 87.32 2.44 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.969 0.89 . . . . 0.0 110.914 171.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.43 40.8 0.18 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -163.49 93.88 0.77 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.209 1.004 . . . . 0.0 110.287 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 mp 62.37 151.08 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 113.506 -1.679 . . . . 0.0 113.59 -172.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.6 -65.21 1.18 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.759 175.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -35.03 76.92 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 117.119 -1.419 . . . . 99.989999999999995 112.582 173.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 121.46 1.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.616 ' O ' ' HB3' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.24 0.604 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.616 ' HB3' ' O ' ' A' ' 0' ' ' ACE . 2.3 t-105 99.26 85.66 0.01 OUTLIER Pre-proline 0 N--CA 1.483 1.183 1 C-N-CA 109.497 -4.881 . . . . 0.0 115.004 . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.12 142.66 17.26 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.661 2.24 . . . . 0.0 110.638 172.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -70.84 33.76 0.24 Allowed 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 123.852 3.035 . . . . 0.0 116.374 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -178.01 112.5 0.07 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.427 2.691 . . . . 0.0 108.064 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 59.9 p 59.15 173.74 0.07 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.111 1.364 . . . . 0.0 112.994 -176.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -122.28 147.16 46.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.27 1.033 . . . . 0.0 111.792 170.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 95.0 m -128.51 144.81 51.21 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 112.868 -1.969 . . . . 0.0 108.931 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 38.8 t -82.6 131.22 35.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 173.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 p -80.73 14.06 2.31 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.57 -49.1 2.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.5 p -117.45 7.78 12.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 21.17 4.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.611 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -61.22 152.52 28.65 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.607 1.163 . . . . 0.0 112.94 177.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.67 135.44 54.97 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.55 113.26 0.61 Allowed 'General case' 0 N--CA 1.483 1.213 0 O-C-N 125.308 1.63 . . . . 0.0 113.192 178.336 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 64.6 ttt-85 -67.75 -34.86 77.66 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.605 -0.684 . . . . 0.0 112.292 170.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 19.5 p -75.35 115.24 14.79 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.727 1.211 . . . . 0.0 113.783 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.86 -36.13 11.52 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.404 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 0.7 OUTLIER -54.07 -46.94 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.069 1.136 . . . . 0.0 114.069 173.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.26 -26.81 60.44 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.9 -1.045 . . . . 0.0 113.324 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -61.1 1.92 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.776 1.231 . . . . 0.0 111.771 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.16 -51.81 51.52 Favored Glycine 0 N--CA 1.481 1.672 0 C-N-CA 124.036 0.826 . . . . 0.0 112.796 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -30.13 67.24 Favored Glycine 0 CA--C 1.54 1.643 0 CA-C-N 114.066 -1.067 . . . . 0.0 113.487 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 40.4 t60 -72.45 -42.07 65.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -172.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -34.08 73.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.342 175.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.78 -39.69 81.79 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -64.13 -25.9 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 174.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.4 m-70 -80.9 46.82 0.93 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.814 0.846 . . . . 0.0 109.688 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -170.42 97.08 0.25 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.61 1.964 . . . . 0.0 113.031 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.66 164.7 13.87 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 113.625 -1.625 . . . . 0.0 112.108 169.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -57.78 91.74 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.74 1.216 . . . . 0.0 111.776 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.66 -46.84 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.812 -1.54 . . . . 0.0 112.286 -168.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 64.89 -65.08 0.15 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.37 1.868 . . . . 0.0 115.655 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.646 ' CZ ' ' HE ' ' A' ' 36' ' ' ARG . 7.1 ttp180 -175.95 -51.08 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.374 1.07 . . . . 0.0 113.419 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 54.44 94.35 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.646 ' HE ' ' CZ ' ' A' ' 34' ' ' ARG . 9.5 ptp85 -111.89 152.17 28.3 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.99 -177.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 tp -62.08 143.82 56.11 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-O 117.409 -1.281 . . . . 99.989999999999995 112.907 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.882 0 CA-C-N 121.28 1.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.461 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -53.05 144.8 26.18 Favored Pre-proline 0 N--CA 1.48 1.064 1 C-N-CA 109.525 -4.87 . . . . 0.0 115.48 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.26 145.29 71.7 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.745 2.297 . . . . 0.0 112.243 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.53 19.01 0.47 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.746 2.297 . . . . 0.0 115.05 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -93.74 74.54 4.29 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m 62.12 152.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 112.679 -2.055 . . . . 0.0 113.209 -172.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.1 m-85 -118.85 146.22 45.04 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.581 -1.19 . . . . 0.0 113.403 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.5 m -135.26 148.77 49.66 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.252 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -91.62 125.2 36.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -76.79 21.4 0.21 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 -45.68 2.24 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -122.48 8.83 9.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -176.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.09 43.92 11.29 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 117.19 2.293 . . . . 0.0 117.19 -174.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.596 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.7 mmt180 -74.81 161.38 29.64 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 176.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -124.72 132.23 53.4 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -172.48 97.23 0.15 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -57.68 -29.96 65.06 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.925 -1.11 . . . . 0.0 112.332 170.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -81.22 120.74 25.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.95 1.3 . . . . 0.0 114.249 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.73 -33.48 48.21 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.793 -1.549 . . . . 0.0 114.449 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -42.66 55.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.902 1.681 . . . . 0.0 112.361 174.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.61 -24.55 19.52 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.461 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -60.14 2.54 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.782 0.833 . . . . 0.0 112.123 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.56 -50.34 63.61 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 123.709 0.671 . . . . 0.0 112.716 -176.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -31.18 68.24 Favored Glycine 0 CA--C 1.54 1.61 0 CA-C-N 114.228 -0.986 . . . . 0.0 113.722 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.7 t60 -73.89 -38.94 64.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -172.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -33.68 72.46 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 173.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -58.08 -44.65 87.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.655 0.782 . . . . 0.0 112.2 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.8 p -60.25 -26.34 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 176.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 -83.4 48.11 1.36 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -164.27 18.02 0.06 Allowed 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 167.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -159.78 51.58 0.34 Allowed 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 122.617 1.198 . . . . 0.0 113.956 -169.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -178.9 -62.8 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 114.645 -1.162 . . . . 0.0 110.556 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 66.66 129.14 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.505 1.922 . . . . 0.0 110.789 -169.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.0 154.72 35.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 113.217 -1.81 . . . . 0.0 110.396 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 154.55 38.07 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.803 176.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.4 tp 70.87 128.41 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 126.798 2.039 . . . . 0.0 112.496 -170.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.79 88.32 2.84 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.675 173.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp 51.78 78.96 0.11 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 113.212 -1.813 . . . . 0.0 115.276 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.892 0 O-C-N 120.261 -1.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.487 ' O ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.237 0.423 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.487 ' CD1' ' O ' ' A' ' 0' ' ' ACE . 0.4 OUTLIER 14.82 98.98 0.02 OUTLIER Pre-proline 0 N--CA 1.481 1.092 1 C-N-CA 109.605 -4.838 . . . . 0.0 117.367 . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -69.5 163.27 38.68 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.791 2.994 . . . . 0.0 113.001 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.23 -21.0 57.93 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.021 2.481 . . . . 0.0 114.544 169.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -69.31 66.16 0.18 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.728 1.211 . . . . 0.0 112.652 172.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 p 60.36 156.92 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.867 2.067 . . . . 0.0 113.765 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 82.2 m-85 -107.5 147.98 29.8 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.41 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 51.8 m -134.22 144.39 48.4 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.625 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 40.4 t -85.34 126.54 33.82 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 p -81.05 24.97 0.48 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.17 -51.08 1.66 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.633 1.173 . . . . 0.0 113.344 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -117.32 4.48 12.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 51.71 37.97 21.6 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 -175.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.652 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.6 OUTLIER -69.97 156.93 38.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.229 1.411 . . . . 0.0 113.781 175.198 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -121.23 133.14 55.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.71 105.39 0.35 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 178.416 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -62.57 -27.12 68.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 167.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -88.47 120.7 30.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.793 1.237 . . . . 0.0 113.314 -176.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.87 28.73 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 113.953 -1.476 . . . . 0.0 114.778 176.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -54.76 -39.39 68.3 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.91 1.284 . . . . 0.0 113.422 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.82 3.8 53.4 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.76 -60.68 1.48 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.165 0.986 . . . . 0.0 110.064 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.45 63.45 Favored Glycine 0 N--CA 1.483 1.786 0 C-N-CA 123.545 0.593 . . . . 0.0 112.054 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.34 -32.23 63.69 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 113.851 -1.175 . . . . 0.0 113.409 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.623 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.3 t60 -73.28 -44.72 58.73 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.09 69.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.94 -38.46 82.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.2 p -67.27 -16.7 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -88.93 -83.75 0.22 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.258 1.023 . . . . 0.0 109.555 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 161.12 150.95 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 129.822 3.249 . . . . 0.0 110.669 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HB2' HH11 ' A' ' 30' ' ' ARG . 0.9 OUTLIER 57.44 90.1 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.708 1.603 . . . . 0.0 114.579 174.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -146.78 36.99 0.96 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.642 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 58.81 -73.18 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.674 1.189 . . . . 0.0 113.583 -166.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.84 48.05 4.9 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.076 1.751 . . . . 0.0 114.592 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.5 -78.94 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 113.235 -1.802 . . . . 0.0 111.261 -170.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt 61.34 159.32 0.05 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.107 1.363 . . . . 0.0 114.351 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -142.95 141.27 31.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 113.593 -1.639 . . . . 0.0 111.594 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.0 tp -65.79 -34.39 78.07 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 117.316 -1.326 . . . . 0.0 112.774 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 121.36 1.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.437 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.237 0.421 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 28.25 81.61 0.21 Allowed Pre-proline 0 CA--C 1.555 1.168 1 C-N-CA 109.481 -4.887 . . . . 0.0 114.826 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 98.9 Cg_endo -78.23 144.38 20.73 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.949 2.433 . . . . 0.0 110.89 173.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.15 81.69 1.14 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.779 2.319 . . . . 0.0 112.084 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -158.17 154.29 27.13 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.446 -1.706 . . . . 0.0 108.475 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -74.11 141.41 45.63 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.413 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 66.0 m-85 -119.2 151.76 37.8 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.174 0.921 . . . . 0.0 113.483 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 97.3 m -141.01 142.53 34.24 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.755 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.491 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 20.7 t -78.94 138.86 38.28 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -87.4 14.32 8.26 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.67 -48.95 2.66 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -114.96 -1.46 13.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 54.89 29.55 12.27 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -175.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.616 ' O ' ' HA ' ' A' ' 7' ' ' THR . 5.5 mtp85 -66.32 153.36 42.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -121.53 131.1 53.95 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -163.94 112.73 1.2 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 113.967 -1.47 . . . . 0.0 112.907 -177.193 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -46.99 88.05 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.676 -0.64 . . . . 0.0 111.319 168.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 p -68.63 116.42 9.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.756 1.222 . . . . 0.0 114.239 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.86 -35.56 6.5 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 173.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.7 -42.54 71.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.151 0.98 . . . . 0.0 113.558 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.49 3.94 52.49 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 -58.01 1.95 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.39 1.076 . . . . 0.0 109.736 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.98 59.2 Favored Glycine 0 N--CA 1.481 1.658 0 C-N-CA 123.651 0.643 . . . . 0.0 112.084 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -30.84 68.09 Favored Glycine 0 CA--C 1.54 1.627 0 CA-C-N 114.302 -0.949 . . . . 0.0 113.652 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.656 ' CE1' ' NE2' ' A' ' 28' ' ' HIS . 20.7 t60 -72.89 -41.22 64.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -173.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.85 72.83 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 174.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.52 -42.34 82.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.637 0.775 . . . . 0.0 112.739 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.9 p -62.76 -26.91 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.656 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 -81.96 37.97 0.51 Allowed 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -143.0 0.63 1.22 Allowed 'General case' 0 N--CA 1.478 0.964 0 O-C-N 119.213 -2.179 . . . . 0.0 114.24 167.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -143.96 83.16 1.74 Allowed 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 122.395 1.093 . . . . 0.0 112.554 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.97 154.23 1.08 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 113.399 -1.728 . . . . 0.0 112.021 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -107.77 -53.98 2.55 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 114.376 -1.284 . . . . 0.0 111.029 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.3 136.08 41.73 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.392 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.41 162.89 17.29 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.252 1.421 . . . . 0.0 110.759 -178.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 tp 66.78 106.5 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 126.215 1.806 . . . . 0.0 113.744 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -62.96 -34.8 78.27 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 38' ' ' NH2 . 1.9 tm? -164.02 141.25 6.91 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 116.555 -1.688 . . . . 99.989999999999995 110.425 -175.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 0.442 ' N ' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--N 1.316 -0.856 0 CA-C-N 121.653 2.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.508 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 65.9 m95 25.36 79.83 0.21 Allowed Pre-proline 0 CA--C 1.554 1.13 1 C-N-CA 109.553 -4.859 . . . . 0.0 113.755 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.4 147.11 46.2 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.628 2.219 . . . . 0.0 112.902 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -60.99 -16.79 47.68 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.931 2.421 . . . . 0.0 115.245 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.25 26.7 9.44 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -177.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -178.96 153.68 0.65 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.487 1.515 . . . . 0.0 113.264 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 72.4 m-85 -112.0 148.78 33.07 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.99 173.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 86.8 m -136.27 141.36 43.88 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.259 -1.791 . . . . 0.0 109.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 40.0 t -80.75 124.82 29.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -75.22 27.55 0.1 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 171.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.08 -50.27 0.95 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.3 p -116.3 5.78 13.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 51.88 33.67 11.97 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.807 2.521 . . . . 0.0 117.807 -175.415 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -74.23 152.76 39.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.236 1.014 . . . . 0.0 113.285 178.037 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.74 133.24 55.99 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.349 -0.842 . . . . 0.0 113.192 -173.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.98 104.99 0.23 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 125.102 1.501 . . . . 0.0 114.132 -178.643 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.37 -29.68 69.08 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 169.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.1 p -85.45 123.74 31.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.661 1.185 . . . . 0.0 113.876 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -35.65 34.74 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.603 -1.635 . . . . 0.0 114.565 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.45 -45.96 62.87 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.805 1.242 . . . . 0.0 113.235 174.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.63 -1.58 57.41 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -58.55 2.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.888 0.875 . . . . 0.0 110.309 178.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.3 -51.9 53.12 Favored Glycine 0 N--CA 1.483 1.819 0 C-N-CA 123.628 0.633 . . . . 0.0 112.025 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.37 -30.03 64.12 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 113.899 -1.151 . . . . 0.0 113.817 173.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 27' ' ' VAL . 39.0 t60 -74.17 -41.35 61.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -174.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.65 -30.49 71.41 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.71 -39.54 81.07 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.774 0.83 . . . . 0.0 112.649 172.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.44 -14.43 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 175.163 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.3 m-70 -93.62 -64.61 1.07 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.473 0.709 . . . . 0.0 109.606 173.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 55.05 85.64 0.06 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.817 1.647 . . . . 0.0 114.188 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -127.72 104.04 7.63 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.884 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -139.01 146.91 41.44 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.265 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -116.1 -51.14 2.64 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 35' ' ' LEU . . . -169.52 127.42 0.94 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.613 1.565 . . . . 0.0 108.944 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -83.39 -55.77 4.13 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD23 ' HB1' ' A' ' 33' ' ' ALA . 4.5 mm? 48.77 81.28 0.05 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -117.86 106.4 12.94 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 113.417 -1.719 . . . . 0.0 110.231 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 tp 58.16 84.74 0.1 Allowed 'General case' 0 C--O 1.254 1.316 0 CA-C-N 113.413 -1.721 . . . . 0.0 114.026 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.855 0 O-C-N 120.291 -1.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.465 ' O ' ' C ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.45 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.465 ' C ' ' O ' ' A' ' 0' ' ' ACE . 68.8 p-90 -49.82 135.94 19.97 Favored Pre-proline 0 CA--C 1.552 1.033 1 C-N-CA 109.533 -4.867 . . . . 0.0 115.081 . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -70.55 135.9 29.67 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.857 2.371 . . . . 0.0 112.323 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.36 -172.42 0.9 Allowed 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.073 2.515 . . . . 0.0 112.66 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 58.02 86.85 0.07 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.557 1.943 . . . . 0.0 111.658 -173.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m 59.33 166.64 0.06 Allowed 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 112.771 -2.013 . . . . 0.0 113.341 -170.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.15 147.38 36.25 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.876 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 3.1 m -131.94 145.68 51.64 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 112.799 -2.001 . . . . 0.0 111.34 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.89 123.39 31.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -77.09 32.42 0.14 Allowed 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 172.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.46 -50.38 0.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.902 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.7 p -118.48 10.02 12.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.02 43.19 25.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 118.964 -2.335 . . . . 0.0 115.491 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.627 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.97 159.33 24.92 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.107 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 133.12 52.17 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -169.81 111.11 0.44 Allowed 'General case' 0 N--CA 1.486 1.331 0 O-C-N 125.005 1.441 . . . . 0.0 113.67 178.456 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.83 -36.07 83.16 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 121.565 -0.709 . . . . 0.0 112.024 169.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 p -77.91 125.39 29.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.08 1.352 . . . . 0.0 114.531 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.78 60.72 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 113.613 -1.63 . . . . 0.0 114.484 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -53.78 -45.18 70.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.292 1.437 . . . . 0.0 112.371 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.34 -11.11 55.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -59.22 2.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.164 0.986 . . . . 0.0 110.854 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.44 61.11 Favored Glycine 0 N--CA 1.48 1.613 0 C-N-CA 123.754 0.692 . . . . 0.0 112.433 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -59.65 -31.41 71.06 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-N 114.073 -1.063 . . . . 0.0 113.593 173.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.602 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.2 t60 -73.55 -40.42 63.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -173.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -28.16 69.39 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 173.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 25.0 t-20 -61.46 -44.18 97.56 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 124.189 0.93 . . . . 0.0 111.955 173.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.6 p -64.14 -23.0 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 176.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.406 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.8 m-70 -82.58 -95.01 0.05 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 170.34 70.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 127.307 2.243 . . . . 0.0 110.482 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.85 167.8 0.06 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.821 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -76.2 82.65 3.01 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.358 -0.839 . . . . 0.0 109.41 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 72.64 -33.35 0.27 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.393 2.277 . . . . 0.0 114.681 175.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.511 ' HB1' ' HG3' ' A' ' 36' ' ' ARG . . . -158.91 148.48 19.02 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.865 1.666 . . . . 0.0 111.311 174.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -81.08 84.86 6.41 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.393 0.616 . . . . 0.0 110.164 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp 67.35 -62.92 0.31 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 126.189 1.796 . . . . 0.0 115.19 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.511 ' HG3' ' HB1' ' A' ' 33' ' ' ALA . 39.6 mtp85 58.58 160.52 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.454 1.901 . . . . 0.0 115.587 -173.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tt -76.7 136.09 39.08 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 113.821 -1.536 . . . . 99.989999999999995 111.239 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 121.337 1.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.468 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -52.28 143.01 27.38 Favored Pre-proline 0 CA--C 1.554 1.11 1 C-N-CA 109.548 -4.861 . . . . 0.0 113.881 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.82 136.62 28.09 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.478 2.119 . . . . 0.0 111.618 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -72.39 27.09 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.548 2.832 . . . . 0.0 115.728 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -112.87 156.76 22.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.45 1.1 . . . . 0.0 110.145 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 41.7 m -52.42 140.19 22.91 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 114.323 -1.308 . . . . 0.0 112.107 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -95.0 149.0 21.73 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.045 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 4.9 m -130.24 149.04 52.11 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 113.154 -1.839 . . . . 0.0 110.901 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -89.74 124.26 34.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -77.74 27.42 0.17 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -49.7 1.39 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.923 0.889 . . . . 0.0 113.272 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.29 8.38 12.24 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? 54.04 28.18 8.46 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.58 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.9 mmt180 -64.05 159.37 20.35 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 176.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.84 133.14 49.37 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.863 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.08 106.93 0.51 Allowed 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.345 1.653 . . . . 0.0 113.781 179.514 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.55 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 36.2 ptt85 -63.88 -24.85 67.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 171.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 p -93.34 125.05 37.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 122.581 1.181 . . . . 0.0 113.541 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.58 46.42 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.586 -1.643 . . . . 0.0 115.417 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -55.42 -41.27 72.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.874 0.87 . . . . 0.0 113.13 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.39 -2.22 58.48 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -58.85 1.89 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.275 1.03 . . . . 0.0 110.085 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.21 62.79 Favored Glycine 0 N--CA 1.484 1.844 0 C-N-CA 123.579 0.609 . . . . 0.0 112.203 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.91 -30.0 68.88 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 114.344 -0.928 . . . . 0.0 113.723 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 43.6 t60 -74.84 -38.02 62.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -173.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -34.01 72.67 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 171.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.892 0.877 . . . . 0.0 113.078 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.9 OUTLIER -68.45 -24.43 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 172.135 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -89.36 47.13 1.44 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -174.02 46.87 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.761 1.624 . . . . 0.0 113.256 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -114.56 149.44 36.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.35 -1.295 . . . . 0.0 111.396 -174.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.71 133.53 55.43 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 114.906 -1.043 . . . . 0.0 113.227 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -119.07 162.34 18.75 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.799 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.08 159.68 5.56 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.226 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -51.99 145.01 10.79 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.695 0.798 . . . . 0.0 110.885 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 tt 70.31 82.71 0.15 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.365 2.266 . . . . 0.0 109.583 -165.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -148.96 46.83 1.0 Allowed 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 112.872 -1.967 . . . . 0.0 112.988 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 tp 60.93 93.49 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.327 1.451 . . . . 0.0 113.617 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.77 0 O-C-N 120.198 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 1.074 ' O ' ' O ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.239 0.53 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 1.074 ' O ' ' O ' ' A' ' 0' ' ' ACE . 68.4 m95 41.07 142.22 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.2 1 C-N-CA 109.447 -4.901 . . . . 0.0 113.633 . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.69 142.5 70.69 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.501 2.134 . . . . 0.0 111.683 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.55 38.8 0.45 Allowed 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.333 2.689 . . . . 0.0 115.345 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.5 ttp85 -170.13 106.47 0.33 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.053 1.341 . . . . 0.0 108.934 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p 64.39 155.92 0.07 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 126.565 1.946 . . . . 0.0 113.405 -173.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 78.8 m-85 -112.07 152.03 28.69 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 122.232 1.015 . . . . 0.0 112.889 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.1 m -133.48 152.04 51.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.629 -2.078 . . . . 0.0 109.559 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 44.2 t -91.21 130.26 37.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -84.58 23.46 1.14 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.94 -48.21 1.89 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.795 -1.093 . . . . 0.0 113.051 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 17.0 p -119.51 6.87 11.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 49.06 36.32 8.5 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 117.318 2.34 . . . . 0.0 117.318 -176.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 7' ' ' THR . 11.1 ttt180 -74.99 159.37 31.87 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.655 0.782 . . . . 0.0 112.354 177.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.75 135.3 54.94 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.938 0.895 . . . . 0.0 113.311 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -171.44 109.88 0.29 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.447 1.499 . . . . 0.0 114.396 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 ptt-85 -65.97 -30.51 71.08 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 168.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 p -79.4 118.33 21.19 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.582 1.182 . . . . 0.0 113.646 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -33.4 37.48 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.775 -1.557 . . . . 0.0 114.087 173.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -47.86 62.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.511 1.525 . . . . 0.0 111.739 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -43.9 39.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 0.0 112.63 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -58.13 9.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.441 1.097 . . . . 0.0 112.733 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.63 -53.74 41.51 Favored Glycine 0 N--CA 1.482 1.753 0 C-N-CA 123.606 0.622 . . . . 0.0 112.367 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.07 -28.99 64.67 Favored Glycine 0 CA--C 1.54 1.603 0 CA-C-N 114.049 -1.076 . . . . 0.0 113.761 175.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.619 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -72.7 -40.21 66.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -173.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.23 -28.95 70.09 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -59.69 -40.95 89.57 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.82 0.848 . . . . 0.0 112.529 171.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.3 p -66.98 -16.27 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 -90.95 -65.1 1.04 Allowed 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 172.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.12 84.48 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.181 1.392 . . . . 0.0 114.541 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -72.13 85.02 1.02 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 122.231 1.015 . . . . 0.0 112.376 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -156.37 -72.33 0.1 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.843 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -167.67 168.9 12.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.918 1.287 . . . . 0.0 109.082 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.73 125.72 24.24 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.64 33.09 4.39 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -176.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.5 mt 53.6 -162.68 0.11 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.941 1.296 . . . . 0.0 111.449 -170.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -74.72 136.59 41.8 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.217 0.917 . . . . 0.0 109.792 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 pp -38.55 -28.68 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 121.676 2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 1.391 ' O ' ' CD1' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.455 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 1.391 ' CD1' ' O ' ' A' ' 0' ' ' ACE . 54.3 m95 -154.75 90.11 3.11 Favored Pre-proline 0 N--CA 1.48 1.067 1 C-N-CA 109.54 -4.864 . . . . 0.0 116.159 . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 1' ' ' TRP . 72.1 Cg_endo -70.75 145.57 51.81 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 122.784 2.322 . . . . 0.0 111.426 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.84 38.51 0.36 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.699 2.933 . . . . 0.0 115.158 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.42 34.89 0.09 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.082 1.753 . . . . 0.0 113.977 -177.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -173.23 147.68 1.57 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.247 1.419 . . . . 0.0 112.478 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 70.9 m-85 -118.93 145.99 45.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 114.31 -1.313 . . . . 0.0 112.071 171.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.598 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 91.4 m -132.84 146.76 52.1 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.588 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 40.0 t -84.84 129.48 34.81 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 176.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -80.93 19.1 0.9 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.16 -49.53 2.06 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.162 0.985 . . . . 0.0 113.576 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.8 p -116.8 4.9 13.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' CYS 0.255 0.5 OUTLIER 49.79 32.97 5.76 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.201 2.667 . . . . 0.0 118.201 -175.649 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.598 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.5 mmt180 -65.71 155.1 37.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.299 1.44 . . . . 0.0 113.141 173.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.42 132.66 54.47 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.904 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -168.61 103.28 0.42 Allowed 'General case' 0 N--CA 1.486 1.346 0 O-C-N 125.418 1.699 . . . . 0.0 114.554 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -60.94 -26.82 67.77 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 168.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 p -88.11 128.02 35.42 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.395 1.093 . . . . 0.0 113.945 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -39.18 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.609 -1.632 . . . . 0.0 114.884 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -52.04 -47.95 64.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.904 1.281 . . . . 0.0 112.726 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.71 -14.72 58.55 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -60.87 1.88 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.499 1.12 . . . . 0.0 111.013 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.87 -50.97 58.36 Favored Glycine 0 N--CA 1.482 1.708 0 C-N-CA 123.805 0.717 . . . . 0.0 112.508 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.07 66.43 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-N 114.031 -1.085 . . . . 0.0 113.527 174.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.632 ' O ' HG12 ' A' ' 27' ' ' VAL . 41.6 t60 -73.89 -41.51 62.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -173.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -34.86 73.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.875 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -57.97 -37.09 73.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.5 p -67.58 -25.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 175.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.6 m-70 -81.96 49.8 1.44 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.96 0.904 . . . . 0.0 109.541 176.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -174.87 115.71 0.17 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.495 1.518 . . . . 0.0 108.071 173.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 47.2 -155.27 0.06 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.445 1.498 . . . . 0.0 113.465 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -152.28 148.72 27.87 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.66 1.584 . . . . 0.0 108.199 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -74.29 75.99 1.84 Allowed 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.526 1.155 . . . . 0.0 110.629 175.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.47 -173.64 0.08 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 113.005 -1.907 . . . . 0.0 112.19 -172.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? 178.17 -70.73 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.789 2.036 . . . . 0.0 108.156 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 36.27 76.48 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.426 1.891 . . . . 0.0 113.895 -175.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 47.63 -145.08 0.31 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 112.841 -1.981 . . . . 0.0 111.777 -171.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.0 tp -65.49 -35.18 80.11 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-O 116.753 -1.594 . . . . 99.989999999999995 112.316 169.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.797 0 CA-C-N 121.644 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.563 ' O ' ' C ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.237 0.445 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.563 ' C ' ' O ' ' A' ' 0' ' ' ACE . 72.6 m95 41.01 91.32 0.06 OUTLIER Pre-proline 0 N--CA 1.48 1.049 1 C-N-CA 109.498 -4.881 . . . . 0.0 114.142 . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 1' ' ' TRP . 72.9 Cg_endo -67.68 146.03 71.72 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.94 2.427 . . . . 0.0 111.973 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.46 75.5 2.95 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.701 2.267 . . . . 0.0 112.043 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.54 83.52 1.04 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.984 -1.462 . . . . 0.0 107.84 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m 57.75 160.01 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 114.258 -1.337 . . . . 0.0 114.183 -171.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 80.8 m-85 -122.14 148.31 45.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.993 -1.003 . . . . 0.0 113.156 170.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 54.8 m -133.28 145.22 50.28 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.202 -1.817 . . . . 0.0 110.189 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 39.3 t -82.79 130.16 35.09 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p -83.26 22.17 1.04 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.02 -49.58 1.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.255 1.022 . . . . 0.0 113.577 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 16.0 p -117.13 6.13 12.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? 55.63 23.95 6.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.61 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -66.4 154.35 40.36 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.155 0.982 . . . . 0.0 113.432 178.317 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.56 135.93 54.94 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -170.68 110.14 0.36 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.788 1.635 . . . . 0.0 113.462 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.317 -0.865 . . . . 0.0 112.801 169.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.7 p -79.2 125.45 29.47 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.57 -40.67 65.81 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.376 -1.738 . . . . 0.0 114.336 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.09 -53.65 6.2 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.65 -45.65 64.73 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.215 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -58.95 5.56 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.131 0.972 . . . . 0.0 112.448 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.78 -54.22 38.18 Favored Glycine 0 N--CA 1.481 1.692 0 C-N-CA 123.622 0.629 . . . . 0.0 112.348 -176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.46 -28.97 65.64 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 114.018 -1.091 . . . . 0.0 113.589 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.637 ' O ' HG12 ' A' ' 27' ' ' VAL . 37.6 t60 -72.36 -43.22 64.33 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -173.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 tpt -65.15 -28.22 69.26 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.84 -39.12 84.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.087 0.955 . . . . 0.0 113.152 170.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.1 p -66.76 -22.61 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.457 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.7 m-70 -83.05 -84.05 0.13 Allowed 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.717 0.807 . . . . 0.0 109.6 173.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 171.06 101.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 127.734 2.414 . . . . 0.0 109.82 -178.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.2 81.58 1.64 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.489 1.137 . . . . 0.0 110.077 176.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -170.44 153.2 4.22 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 113.901 -1.5 . . . . 0.0 112.212 -170.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -62.29 156.27 22.66 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 114.556 -1.202 . . . . 0.0 113.239 174.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.92 153.09 14.83 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 114.691 -1.141 . . . . 0.0 110.284 167.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB3' HD12 ' A' ' 35' ' ' LEU . 4.3 ttt180 71.43 168.73 0.31 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.78 1.632 . . . . 0.0 111.536 -171.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 34' ' ' ARG . 4.9 mp 69.08 -65.06 0.31 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.362 1.865 . . . . 0.0 113.679 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 42.41 -153.63 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 127.002 2.121 . . . . 0.0 114.319 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.94 145.21 45.96 Favored 'General case' 0 C--O 1.253 1.246 0 CA-C-O 117.031 -1.461 . . . . 0.0 113.016 172.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 121.472 1.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.48 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.409 ' HH2' ' HA ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -116.85 139.12 25.3 Favored Pre-proline 0 N--CA 1.482 1.138 1 C-N-CA 109.509 -4.877 . . . . 0.0 115.548 . . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.34 149.99 75.8 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 122.973 2.449 . . . . 0.0 111.788 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -73.59 72.96 3.57 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.646 2.231 . . . . 0.0 111.415 172.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.439 ' HG2' ' H ' ' A' ' 5' ' ' SER . 15.6 ttm180 -140.29 160.34 40.18 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.264 -178.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.439 ' H ' ' HG2' ' A' ' 4' ' ' ARG . 35.9 m -82.42 144.14 30.7 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.895 1.278 . . . . 0.0 112.318 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 68.4 m-85 -111.01 146.6 36.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.783 170.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.665 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 36.7 m -137.64 143.33 41.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.599 -1.637 . . . . 0.0 111.272 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 43.4 t -82.5 129.94 35.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.2 p -82.14 19.82 1.12 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.29 -50.47 2.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.278 1.031 . . . . 0.0 113.393 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -117.28 4.6 12.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 51.53 38.25 21.75 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 -175.141 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.665 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -70.49 155.86 40.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.141 1.376 . . . . 0.0 113.304 175.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.86 128.58 49.7 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -164.35 105.82 0.88 Allowed 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 123.289 1.518 . . . . 0.0 114.821 -179.184 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -60.26 -25.6 65.81 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.376 -1.283 . . . . 0.0 113.509 168.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.465 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 59.2 p -100.09 126.49 46.33 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.481 1.112 . . . . 0.0 113.874 -173.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.54 -34.53 58.53 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 113.728 -1.578 . . . . 0.0 114.829 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.465 ' HG2' ' HB2' ' A' ' 17' ' ' SER . 9.4 pt20 -51.7 -40.38 60.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.833 1.253 . . . . 0.0 113.707 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.56 9.35 42.64 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.55 -59.0 1.78 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.946 0.898 . . . . 0.0 109.427 177.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.35 57.54 Favored Glycine 0 N--CA 1.481 1.681 0 C-N-CA 123.418 0.532 . . . . 0.0 111.87 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.53 66.44 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.988 -1.106 . . . . 0.0 113.705 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.616 ' O ' HG12 ' A' ' 27' ' ' VAL . 38.5 t60 -73.18 -40.99 64.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -174.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -62.33 -30.93 71.51 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 175.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -60.07 -36.59 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.54 0.736 . . . . 0.0 112.908 171.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -68.88 -14.56 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.226 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.442 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.2 m-70 -94.97 -64.01 1.11 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.421 0.688 . . . . 0.0 109.571 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.48 64.86 1.2 Allowed 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -124.92 149.86 47.16 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.924 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 65.76 149.0 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.108 1.763 . . . . 0.0 112.74 -169.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -77.0 135.16 38.67 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.433 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.15 -38.65 62.92 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 38.98 -138.58 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.834 1.653 . . . . 0.0 113.589 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.5 tp 43.63 52.29 6.24 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -49.7 -37.48 29.12 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -129.21 -29.56 2.25 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 125.27 1.428 . . . . 99.989999999999995 112.067 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 121.186 1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 1.177 ' O ' ' CB ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.457 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 1.177 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 16.5 t-105 114.03 88.7 0.0 OUTLIER Pre-proline 1 C--N 1.48 6.262 1 C-N-CA 109.504 -4.878 . . . . 0.0 114.945 . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.53 153.92 35.07 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.269 2.646 . . . . 0.0 111.324 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -55.18 -27.06 54.33 Favored 'Trans proline' 0 N--CA 1.482 0.826 0 C-N-CA 123.151 2.567 . . . . 0.0 115.406 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.426 ' CZ ' ' HE ' ' A' ' 16' ' ' ARG . 64.2 mtp85 -113.72 140.47 48.23 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.496 0.719 . . . . 0.0 109.976 169.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m 59.73 140.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.076 1.751 . . . . 0.0 115.331 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -101.27 145.83 28.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 113.885 -1.507 . . . . 0.0 111.43 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 96.9 m -132.23 145.4 51.3 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.193 -1.821 . . . . 0.0 109.607 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 42.0 t -83.75 135.94 34.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -82.57 7.39 14.7 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.22 -42.83 4.06 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -123.96 2.95 8.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 52.19 31.45 9.15 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 118.412 2.745 . . . . 0.0 118.412 -174.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.63 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mmt-85 -63.62 150.8 43.32 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 172.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -118.67 135.23 54.58 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.439 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -163.17 127.11 2.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.815 1.322 . . . . 0.0 113.746 178.038 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' HE ' ' CZ ' ' A' ' 4' ' ' ARG . 43.6 ttt-85 -97.53 61.2 1.63 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.386 1.089 . . . . 0.0 110.946 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -168.89 138.74 2.27 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.661 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.36 74.86 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.719 -1.582 . . . . 0.0 113.048 173.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -58.62 -53.33 59.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.405 1.082 . . . . 0.0 111.882 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.84 87.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 175.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -57.86 10.28 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.333 1.053 . . . . 0.0 112.372 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -52.23 52.14 Favored Glycine 0 N--CA 1.48 1.626 0 C-N-CA 124.005 0.812 . . . . 0.0 112.47 -176.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -60.04 -28.87 67.01 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 114.285 -0.957 . . . . 0.0 113.418 175.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.589 ' O ' HG12 ' A' ' 27' ' ' VAL . 54.5 t60 -74.99 -42.17 58.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -32.59 72.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.493 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 23.5 t-20 -55.72 -46.04 77.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 117.839 -1.076 . . . . 0.0 111.995 173.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.7 p -63.52 -22.43 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 178.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -81.08 -57.18 3.64 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 172.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 45.6 21.98 0.09 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -177.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -119.43 97.56 5.71 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.96 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -150.24 42.78 0.85 Allowed 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.693 -1.139 . . . . 0.0 113.781 174.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.3 ttt-85 63.81 -50.36 0.25 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 127.325 2.25 . . . . 0.0 113.944 -175.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 115.85 3.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.452 1.501 . . . . 0.0 111.302 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -156.96 149.52 23.37 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 113.339 -1.755 . . . . 0.0 107.853 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 mp 63.99 176.75 0.17 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.928 1.291 . . . . 0.0 112.218 -170.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.12 142.0 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 126.257 1.823 . . . . 0.0 112.841 -175.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -69.21 140.67 54.58 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 117.016 -1.469 . . . . 0.0 114.919 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.855 0 CA-C-N 121.538 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.893 ' O ' ' O ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.238 0.457 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.893 ' O ' ' O ' ' A' ' 0' ' ' ACE . 25.9 m0 29.24 140.1 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.078 1 C-N-CA 109.494 -4.883 . . . . 0.0 115.626 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.91 141.43 84.34 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.804 2.336 . . . . 0.0 112.179 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.69 102.36 0.86 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.571 2.847 . . . . 0.0 111.695 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -157.6 159.44 37.06 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.902 -1.499 . . . . 0.0 109.488 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p -66.72 102.44 0.93 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.577 1.151 . . . . 0.0 113.593 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 93.6 m-85 -99.01 152.17 20.11 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 7.1 m -137.39 151.93 49.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.318 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -92.43 128.73 38.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p -80.9 17.67 1.15 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 174.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -42.99 2.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -126.13 9.75 7.43 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.79 28.71 3.8 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 -176.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -64.08 158.29 23.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.973 1.309 . . . . 0.0 113.731 176.414 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.4 134.4 49.91 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -167.49 109.53 0.63 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.633 1.573 . . . . 0.0 114.267 -178.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.52 75.2 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.288 -0.869 . . . . 0.0 113.133 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.7 p -83.4 122.96 29.18 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.777 1.275 . . . . 0.0 114.008 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.63 -36.18 56.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.109 -1.86 . . . . 0.0 114.839 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.21 -49.28 72.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.282 0.633 . . . . 0.0 112.472 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.22 74.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.926 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD13 ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -56.31 -57.91 10.25 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.012 0.925 . . . . 0.0 112.305 179.071 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.1 -53.29 43.57 Favored Glycine 0 N--CA 1.481 1.69 0 C-N-CA 123.71 0.671 . . . . 0.0 112.295 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.3 67.94 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-N 114.295 -0.953 . . . . 0.0 113.67 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.627 ' O ' HG12 ' A' ' 27' ' ' VAL . 42.8 t60 -73.48 -41.38 63.21 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -172.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 tpt -63.01 -29.88 71.17 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.2 -39.36 86.29 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.862 0.865 . . . . 0.0 112.631 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -67.81 -11.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 174.572 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.41 ' NE2' ' CE1' ' A' ' 24' ' ' HIS . 99.5 m-70 -96.52 -73.05 0.61 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.576 0.751 . . . . 0.0 109.585 172.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.46 44.47 13.08 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.937 1.351 . . . . 0.0 113.118 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 53.16 60.0 4.05 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -171.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.09 -71.33 0.08 Allowed 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 115.168 -0.924 . . . . 0.0 113.316 170.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -173.29 151.88 2.12 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.068 1.347 . . . . 0.0 109.746 176.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.25 140.54 40.1 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.764 0.825 . . . . 0.0 112.285 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -148.57 174.76 11.79 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.833 1.253 . . . . 0.0 112.887 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 64.36 -161.24 0.28 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.692 1.997 . . . . 0.0 113.059 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 135.58 57.41 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.169 0.588 . . . . 0.0 110.496 175.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.68 91.35 0.07 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.091 1.357 . . . . 0.0 114.381 -176.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.867 0 O-C-N 120.328 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_