data_1hsm_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 1hsm _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 3' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 6.4 m120 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 3' ' ' ASN . . . 116.46 90.05 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.369 0 O-C-N 126.088 2.118 . . . . 0.0 108.367 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -47.52 119.02 3.31 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 C-N-CA 122.376 2.05 . . . . 0.0 110.396 167.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -92.77 -162.26 0.92 Allowed 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 113.166 -1.834 . . . . 0.0 108.251 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -100.14 147.54 33.64 Favored Pre-proline 0 N--CA 1.497 1.877 0 C-N-CA 119.959 -0.696 . . . . 0.0 111.365 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -94.62 -173.41 0.31 Allowed 'Trans proline' 0 CA--C 1.552 1.409 0 C-N-CA 124.412 3.408 . . . . 0.0 111.052 171.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -27.06 169.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 1 C-N-CA 125.344 4.029 . . . . 0.0 120.069 165.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -116.89 -31.56 5.39 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 113.12 -1.855 . . . . 0.0 113.466 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 133.48 -51.97 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.195 1 N-CA-C 99.031 -4.433 . . . . 0.0 99.031 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' CZ ' ' HA2' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -59.82 -50.22 74.64 Favored 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 101.936 -3.357 . . . . 0.0 101.936 179.212 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.503 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 16.2 t80 -32.65 -45.67 0.12 Allowed 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.7 mm? -68.33 -61.17 1.96 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 39' ' ' LEU . 77.4 t80 -47.21 -39.26 13.6 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.19 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -64.4 -56.69 12.61 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 112.867 -1.97 . . . . 0.0 109.747 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.515 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 52.2 m -48.55 -50.43 32.21 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.971 0.891 . . . . 0.0 110.777 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -53.12 -31.77 43.96 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 112.752 -2.022 . . . . 0.0 112.561 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' ARG . 4.5 m-30 -94.29 -43.65 8.32 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HB3' ' CD ' ' A' ' 21' ' ' PRO . 22.2 ttp85 -20.12 -64.58 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 125.069 1.481 . . . . 0.0 112.277 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' CD ' ' HB3' ' A' ' 20' ' ' ARG . 74.1 Cg_endo -61.13 -63.86 0.1 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 121.64 1.56 . . . . 0.0 112.227 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 21' ' ' PRO . 64.5 tttp -36.32 -40.0 0.21 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 118.625 2.824 . . . . 0.0 118.625 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.0 pt -97.92 -23.48 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-O 121.681 0.753 . . . . 0.0 111.134 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -75.67 -24.72 56.36 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 113.687 -1.597 . . . . 0.0 107.86 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.44 -40.09 6.14 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -75.17 -31.09 60.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 124.051 0.501 . . . . 0.0 110.135 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.403 ' C ' ' H ' ' A' ' 29' ' ' GLY . 71.3 m-70 -127.28 73.1 77.39 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -77.91 37.43 0.62 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 123.523 2.816 . . . . 0.0 111.813 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 27' ' ' HIS . . . -129.26 11.61 6.11 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.348 -1.901 . . . . 0.0 108.348 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 31.3 mt -110.93 163.42 13.84 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.635 0.731 . . . . 0.0 109.416 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.555 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 22.3 m -114.17 176.96 4.82 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 tp -64.01 -9.72 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-O 121.363 0.601 . . . . 0.0 112.423 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.19 -5.53 43.36 Favored Glycine 0 N--CA 1.497 2.728 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.555 ' HB2' ' H ' ' A' ' 31' ' ' SER . 57.0 m-20 -105.9 -46.25 4.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.13 -28.15 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.17 -40.15 14.86 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.939 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.96 -46.03 83.27 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.375 -0.93 . . . . 0.0 111.287 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.18 -60.32 3.76 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.759 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.444 HD13 ' CE2' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -61.9 -33.16 73.72 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . -54.55 -47.19 71.17 Favored Glycine 0 N--CA 1.506 3.305 0 N-CA-C 108.304 -1.918 . . . . 0.0 108.304 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HA ' HD21 ' A' ' 44' ' ' ASN . 33.9 mt-10 -59.17 -52.2 66.73 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 36.6 mmt -46.66 -53.74 11.01 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -48.12 -53.96 14.89 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 113.927 -1.488 . . . . 0.0 109.188 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.414 HD21 ' HA ' ' A' ' 41' ' ' GLU . 82.5 m-20 -51.78 -43.81 63.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 125.322 1.639 . . . . 0.0 110.467 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.22 49.72 0.84 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 125.106 1.504 . . . . 0.0 109.811 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' ALA . 15.3 t -96.42 -1.07 48.28 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 48' ' ' ALA . . . 129.84 -52.65 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.476 0 C-N-CA 126.58 1.952 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 47' ' ' ALA . . . 109.67 -42.06 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 N-CA-C 101.371 -3.566 . . . . 0.0 101.371 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.96 -5.84 54.79 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 113.057 -1.883 . . . . 0.0 107.416 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -108.35 -7.82 15.79 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -88.36 -56.11 3.45 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -26.1 -57.98 0.18 Allowed Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 125.619 1.824 . . . . 0.0 114.425 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -46.33 -47.59 14.84 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 123.58 2.853 . . . . 0.0 114.824 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -77.01 -50.55 12.88 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.493 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -44.43 -56.86 3.92 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 111.957 -2.383 . . . . 0.0 111.609 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.95 -37.71 3.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 124.112 0.882 . . . . 0.0 111.254 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.58 -61.05 1.94 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.38 -49.57 5.16 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 124.319 1.012 . . . . 0.0 110.371 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.85 -64.07 1.0 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.563 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -41.57 -46.7 3.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.065 0.853 . . . . 0.0 111.574 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.0 mt -71.05 -51.7 23.79 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 117.918 -1.039 . . . . 0.0 112.376 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -51.12 -45.82 61.7 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.38 -56.88 13.14 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.298 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -48.9 -53.2 20.57 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 121.66 0.743 . . . . 0.0 109.91 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -46.71 -63.48 1.01 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.051 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -43.7 -29.67 0.54 Allowed 'General case' 0 C--N 1.297 -1.686 0 O-C-N 125.193 1.558 . . . . 0.0 114.776 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -91.01 -29.71 17.21 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.987 0.899 . . . . 0.0 111.138 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -25.19 56.43 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 113.036 -1.893 . . . . 0.0 108.212 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tp -87.52 -43.11 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 104.519 -2.4 . . . . 0.0 104.519 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.32 -30.25 62.32 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.1 -41.99 14.28 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.942 1.401 . . . . 0.0 107.787 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -48.5 -44.15 35.74 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.843 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -83.91 -36.96 22.94 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 112.831 -1.986 . . . . 0.0 109.125 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.37 -40.89 5.71 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 125.101 1.501 . . . . 0.0 110.541 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.2 tttp 149.1 68.85 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.7 -49.25 0.48 Allowed Glycine 0 N--CA 1.488 2.119 0 CA-C-N 113.251 -1.795 . . . . 0.0 108.991 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -22.44 156.19 0.0 OUTLIER Pre-proline 0 N--CA 1.507 2.416 0 N-CA-C 119.105 3.002 . . . . 0.0 119.105 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -49.29 -29.95 18.58 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 123.682 2.921 . . . . 0.0 113.588 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -115.49 37.67 3.5 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.072 0.858 . . . . 0.0 109.786 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -131.74 -54.28 1.0 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.455 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . . . . . . 0 N--CA 1.511 2.596 0 O-C-N 126.405 2.316 . . . . 0.0 109.917 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 1.8 m-80 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 3' ' ' ASN . . . 116.46 90.05 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.369 0 O-C-N 126.088 2.118 . . . . 0.0 108.367 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -47.52 119.02 3.31 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 C-N-CA 122.376 2.05 . . . . 0.0 110.396 167.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -92.77 -162.26 0.92 Allowed 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 113.166 -1.834 . . . . 0.0 108.251 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -100.14 147.54 33.64 Favored Pre-proline 0 N--CA 1.497 1.877 0 C-N-CA 119.959 -0.696 . . . . 0.0 111.365 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -94.62 -173.41 0.31 Allowed 'Trans proline' 0 CA--C 1.552 1.409 0 C-N-CA 124.412 3.408 . . . . 0.0 111.052 171.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -27.06 169.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 1 C-N-CA 125.344 4.029 . . . . 0.0 120.069 165.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -116.89 -31.56 5.39 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 113.12 -1.855 . . . . 0.0 113.466 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 133.48 -51.97 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.195 1 N-CA-C 99.031 -4.433 . . . . 0.0 99.031 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.509 ' CZ ' ' HA2' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -59.82 -50.22 74.64 Favored 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 101.936 -3.357 . . . . 0.0 101.936 179.212 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.503 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 16.2 t80 -32.65 -45.67 0.12 Allowed 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.565 HD22 ' H ' ' A' ' 14' ' ' LEU . 1.7 mm? -68.33 -61.17 1.96 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE2' HD12 ' A' ' 39' ' ' LEU . 77.4 t80 -47.21 -39.26 13.6 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.19 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -64.4 -56.69 12.61 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 112.867 -1.97 . . . . 0.0 109.747 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.515 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 52.2 m -48.55 -50.43 32.21 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.971 0.891 . . . . 0.0 110.777 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -53.12 -31.77 43.96 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 112.752 -2.022 . . . . 0.0 112.561 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' ARG . 4.5 m-30 -94.29 -43.65 8.32 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.518 ' HB3' ' CD ' ' A' ' 21' ' ' PRO . 22.2 ttp85 -20.12 -64.58 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 125.069 1.481 . . . . 0.0 112.277 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' CD ' ' HB3' ' A' ' 20' ' ' ARG . 74.1 Cg_endo -61.13 -63.86 0.1 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 121.64 1.56 . . . . 0.0 112.227 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' H ' ' HG2' ' A' ' 21' ' ' PRO . 64.5 tttp -36.32 -40.0 0.21 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 118.625 2.824 . . . . 0.0 118.625 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.0 pt -97.92 -23.48 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-O 121.681 0.753 . . . . 0.0 111.134 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 41.6 ttmt -75.67 -24.72 56.36 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 113.687 -1.597 . . . . 0.0 107.86 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.44 -40.09 6.14 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -75.17 -31.09 60.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 124.051 0.501 . . . . 0.0 110.135 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -127.28 73.1 77.39 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -77.91 37.43 0.62 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 123.523 2.816 . . . . 0.0 111.813 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.26 11.61 6.11 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.348 -1.901 . . . . 0.0 108.348 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 31.3 mt -110.93 163.42 13.84 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.635 0.731 . . . . 0.0 109.416 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.595 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 22.3 m -114.17 176.96 4.82 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 tp -64.01 -9.72 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-O 121.363 0.601 . . . . 0.0 112.423 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.19 -5.53 43.36 Favored Glycine 0 N--CA 1.497 2.728 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.595 ' HB2' ' H ' ' A' ' 31' ' ' SER . 57.0 m-20 -105.9 -46.25 4.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.13 -28.15 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.17 -40.15 14.86 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.939 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.96 -46.03 83.27 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.375 -0.93 . . . . 0.0 111.287 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.18 -60.32 3.76 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.759 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD12 ' CE2' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -61.9 -33.16 73.72 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . -54.55 -47.19 71.17 Favored Glycine 0 N--CA 1.506 3.305 0 N-CA-C 108.304 -1.918 . . . . 0.0 108.304 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -59.17 -52.2 66.73 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 36.6 mmt -46.66 -53.74 11.01 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -48.12 -53.96 14.89 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 113.927 -1.488 . . . . 0.0 109.188 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -51.78 -43.81 63.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 125.322 1.639 . . . . 0.0 110.467 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.22 49.72 0.84 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 125.106 1.504 . . . . 0.0 109.811 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' ALA . 15.3 t -96.42 -1.07 48.28 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 48' ' ' ALA . . . 129.84 -52.65 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.476 0 C-N-CA 126.58 1.952 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 47' ' ' ALA . . . 109.67 -42.06 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 N-CA-C 101.371 -3.566 . . . . 0.0 101.371 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.96 -5.84 54.79 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 113.057 -1.883 . . . . 0.0 107.416 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -108.35 -7.82 15.79 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -88.36 -56.11 3.45 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.408 ' HB3' ' CD ' ' A' ' 53' ' ' PRO . 7.1 tp60 -26.1 -57.98 0.18 Allowed Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 125.619 1.824 . . . . 0.0 114.425 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' CD ' ' HB3' ' A' ' 52' ' ' GLN . 22.1 Cg_endo -46.33 -47.59 14.84 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 123.58 2.853 . . . . 0.0 114.824 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' HB3' ' HB2' ' A' ' 14' ' ' LEU . 50.4 m-85 -77.01 -50.55 12.88 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.493 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -44.43 -56.86 3.92 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 111.957 -2.383 . . . . 0.0 111.609 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.95 -37.71 3.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 124.112 0.882 . . . . 0.0 111.254 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.58 -61.05 1.94 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.38 -49.57 5.16 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 124.319 1.012 . . . . 0.0 110.371 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.85 -64.07 1.0 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.563 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -41.57 -46.7 3.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.065 0.853 . . . . 0.0 111.574 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.0 mt -71.05 -51.7 23.79 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 117.918 -1.039 . . . . 0.0 112.376 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -51.12 -45.82 61.7 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.38 -56.88 13.14 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.298 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -48.9 -53.2 20.57 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 121.66 0.743 . . . . 0.0 109.91 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.408 ' O ' HG22 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -46.71 -63.48 1.01 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.051 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -43.7 -29.67 0.54 Allowed 'General case' 0 C--N 1.297 -1.686 0 O-C-N 125.193 1.558 . . . . 0.0 114.776 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -91.01 -29.71 17.21 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.987 0.899 . . . . 0.0 111.138 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -25.19 56.43 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 113.036 -1.893 . . . . 0.0 108.212 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' A' ' 72' ' ' TYR . 1.7 tp -87.52 -43.11 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 104.519 -2.4 . . . . 0.0 104.519 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HA ' HH21 ' A' ' 73' ' ' ARG . . . -56.32 -30.25 62.32 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.1 -41.99 14.28 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.942 1.401 . . . . 0.0 107.787 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.425 ' HB3' HD12 ' A' ' 69' ' ' ILE . 51.0 t80 -48.5 -44.15 35.74 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.843 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.409 HH21 ' HA ' ' A' ' 70' ' ' ALA . 30.1 mtm180 -83.91 -36.96 22.94 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 112.831 -1.986 . . . . 0.0 109.125 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.37 -40.89 5.71 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 125.101 1.501 . . . . 0.0 110.541 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.2 tttp 149.1 68.85 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.7 -49.25 0.48 Allowed Glycine 0 N--CA 1.488 2.119 0 CA-C-N 113.251 -1.795 . . . . 0.0 108.991 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -22.44 156.19 0.0 OUTLIER Pre-proline 0 N--CA 1.507 2.416 0 N-CA-C 119.105 3.002 . . . . 0.0 119.105 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -49.29 -29.95 18.58 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 123.682 2.921 . . . . 0.0 113.588 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -115.49 37.67 3.5 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.072 0.858 . . . . 0.0 109.786 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -131.74 -54.28 1.0 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.455 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . . . . . . 0 N--CA 1.511 2.596 0 O-C-N 126.405 2.316 . . . . 0.0 109.917 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 6.4 m120 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 3' ' ' ASN . . . 116.46 90.05 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.369 0 O-C-N 126.088 2.118 . . . . 0.0 108.367 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -47.52 119.02 3.31 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 C-N-CA 122.376 2.05 . . . . 0.0 110.396 167.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -92.77 -162.26 0.92 Allowed 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 113.166 -1.834 . . . . 0.0 108.251 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -100.14 147.54 33.64 Favored Pre-proline 0 N--CA 1.497 1.877 0 C-N-CA 119.959 -0.696 . . . . 0.0 111.365 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -94.62 -173.41 0.31 Allowed 'Trans proline' 0 CA--C 1.552 1.409 0 C-N-CA 124.412 3.408 . . . . 0.0 111.052 171.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -27.06 169.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 1 C-N-CA 125.344 4.029 . . . . 0.0 120.069 165.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -116.89 -31.56 5.39 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 113.12 -1.855 . . . . 0.0 113.466 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 133.48 -51.97 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.195 1 N-CA-C 99.031 -4.433 . . . . 0.0 99.031 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.509 ' CZ ' ' HA2' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -59.82 -50.22 74.64 Favored 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 101.936 -3.357 . . . . 0.0 101.936 179.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.503 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 16.2 t80 -32.65 -45.67 0.12 Allowed 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.565 ' H ' HD22 ' A' ' 14' ' ' LEU . 1.7 mm? -68.33 -61.17 1.96 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE2' HD12 ' A' ' 39' ' ' LEU . 77.4 t80 -47.21 -39.26 13.6 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.19 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -64.4 -56.69 12.61 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 112.867 -1.97 . . . . 0.0 109.747 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.515 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 52.2 m -48.55 -50.43 32.21 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.971 0.891 . . . . 0.0 110.777 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -53.12 -31.77 43.96 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 112.752 -2.022 . . . . 0.0 112.561 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' ARG . 4.5 m-30 -94.29 -43.65 8.32 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.518 ' HB3' ' CD ' ' A' ' 21' ' ' PRO . 22.2 ttp85 -20.12 -64.58 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 125.069 1.481 . . . . 0.0 112.277 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' CD ' ' HB3' ' A' ' 20' ' ' ARG . 74.1 Cg_endo -61.13 -63.86 0.1 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 121.64 1.56 . . . . 0.0 112.227 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' H ' ' HG2' ' A' ' 21' ' ' PRO . 64.5 tttp -36.32 -40.0 0.21 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 118.625 2.824 . . . . 0.0 118.625 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.0 pt -97.92 -23.48 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-O 121.681 0.753 . . . . 0.0 111.134 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 41.6 ttmt -75.67 -24.72 56.36 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 113.687 -1.597 . . . . 0.0 107.86 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.44 -40.09 6.14 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -75.17 -31.09 60.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 124.051 0.501 . . . . 0.0 110.135 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -127.28 73.1 77.39 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -77.91 37.43 0.62 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 123.523 2.816 . . . . 0.0 111.813 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.26 11.61 6.11 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.348 -1.901 . . . . 0.0 108.348 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 31.3 mt -110.93 163.42 13.84 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.635 0.731 . . . . 0.0 109.416 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.595 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 22.3 m -114.17 176.96 4.82 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 tp -64.01 -9.72 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-O 121.363 0.601 . . . . 0.0 112.423 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.19 -5.53 43.36 Favored Glycine 0 N--CA 1.497 2.728 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.595 ' HB2' ' H ' ' A' ' 31' ' ' SER . 57.0 m-20 -105.9 -46.25 4.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.13 -28.15 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.17 -40.15 14.86 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.939 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.96 -46.03 83.27 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.375 -0.93 . . . . 0.0 111.287 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.18 -60.32 3.76 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.759 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD12 ' CE2' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -61.9 -33.16 73.72 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . -54.55 -47.19 71.17 Favored Glycine 0 N--CA 1.506 3.305 0 N-CA-C 108.304 -1.918 . . . . 0.0 108.304 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HA ' HD22 ' A' ' 44' ' ' ASN . 33.9 mt-10 -59.17 -52.2 66.73 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 36.6 mmt -46.66 -53.74 11.01 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -48.12 -53.96 14.89 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 113.927 -1.488 . . . . 0.0 109.188 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.455 HD22 ' HA ' ' A' ' 41' ' ' GLU . 82.5 m-20 -51.78 -43.81 63.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 125.322 1.639 . . . . 0.0 110.467 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.22 49.72 0.84 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 125.106 1.504 . . . . 0.0 109.811 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' ALA . 15.3 t -96.42 -1.07 48.28 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 48' ' ' ALA . . . 129.84 -52.65 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.476 0 C-N-CA 126.58 1.952 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 47' ' ' ALA . . . 109.67 -42.06 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 N-CA-C 101.371 -3.566 . . . . 0.0 101.371 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.96 -5.84 54.79 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 113.057 -1.883 . . . . 0.0 107.416 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -108.35 -7.82 15.79 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -88.36 -56.11 3.45 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.408 ' HB3' ' CD ' ' A' ' 53' ' ' PRO . 1.1 tp-100 -26.1 -57.98 0.18 Allowed Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 125.619 1.824 . . . . 0.0 114.425 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' CD ' ' HB3' ' A' ' 52' ' ' GLN . 22.1 Cg_endo -46.33 -47.59 14.84 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 123.58 2.853 . . . . 0.0 114.824 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' HB3' ' HB2' ' A' ' 14' ' ' LEU . 50.4 m-85 -77.01 -50.55 12.88 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.493 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -44.43 -56.86 3.92 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 111.957 -2.383 . . . . 0.0 111.609 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.95 -37.71 3.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 124.112 0.882 . . . . 0.0 111.254 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.58 -61.05 1.94 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.38 -49.57 5.16 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 124.319 1.012 . . . . 0.0 110.371 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.85 -64.07 1.0 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.563 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -41.57 -46.7 3.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.065 0.853 . . . . 0.0 111.574 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.0 mt -71.05 -51.7 23.79 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 117.918 -1.039 . . . . 0.0 112.376 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -51.12 -45.82 61.7 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.38 -56.88 13.14 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.298 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -48.9 -53.2 20.57 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 121.66 0.743 . . . . 0.0 109.91 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.408 ' O ' HG22 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -46.71 -63.48 1.01 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.051 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -43.7 -29.67 0.54 Allowed 'General case' 0 C--N 1.297 -1.686 0 O-C-N 125.193 1.558 . . . . 0.0 114.776 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -91.01 -29.71 17.21 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.987 0.899 . . . . 0.0 111.138 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -25.19 56.43 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 113.036 -1.893 . . . . 0.0 108.212 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' A' ' 72' ' ' TYR . 1.7 tp -87.52 -43.11 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 104.519 -2.4 . . . . 0.0 104.519 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HA ' HH21 ' A' ' 73' ' ' ARG . . . -56.32 -30.25 62.32 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.1 -41.99 14.28 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.942 1.401 . . . . 0.0 107.787 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.425 ' HB3' HD12 ' A' ' 69' ' ' ILE . 51.0 t80 -48.5 -44.15 35.74 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.843 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.409 HH21 ' HA ' ' A' ' 70' ' ' ALA . 30.1 mtm180 -83.91 -36.96 22.94 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 112.831 -1.986 . . . . 0.0 109.125 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.37 -40.89 5.71 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 125.101 1.501 . . . . 0.0 110.541 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.2 tttp 149.1 68.85 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.7 -49.25 0.48 Allowed Glycine 0 N--CA 1.488 2.119 0 CA-C-N 113.251 -1.795 . . . . 0.0 108.991 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -22.44 156.19 0.0 OUTLIER Pre-proline 0 N--CA 1.507 2.416 0 N-CA-C 119.105 3.002 . . . . 0.0 119.105 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -49.29 -29.95 18.58 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 123.682 2.921 . . . . 0.0 113.588 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -115.49 37.67 3.5 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.072 0.858 . . . . 0.0 109.786 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -131.74 -54.28 1.0 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.455 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . . . . . . 0 N--CA 1.511 2.596 0 O-C-N 126.405 2.316 . . . . 0.0 109.917 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_