data_2h80_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 2h80 _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 ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.01 -32.88 64.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.413 -0.804 . . . . 0.0 112.455 169.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.62 83.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.526 1.13 . . . . 0.0 113.814 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -63.5 -51.5 65.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.663 1.185 . . . . 0.0 111.02 174.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.3 -32.26 72.97 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.341 1.056 . . . . 0.0 113.048 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -58.56 8.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.545 1.138 . . . . 0.0 112.773 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.84 -52.33 64.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.414 0.686 . . . . 0.0 111.781 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -39.79 95.26 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -62.16 -44.05 97.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.492 0.717 . . . . 0.0 112.168 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -45.75 73.89 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.41 1.005 . . . . 0.0 111.581 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -62.5 -52.53 63.1 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.543 0.737 . . . . 0.0 111.893 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.32 -44.87 80.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.857 1.263 . . . . 0.0 113.237 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.66 -7.35 14.82 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.98 1.712 . . . . 0.0 114.678 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.45 10.93 43.09 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.103 1.335 . . . . 0.0 114.948 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -126.51 58.87 29.27 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 112.53 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.32 -20.54 48.7 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.122 2.548 . . . . 0.0 113.92 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -53.89 -48.55 69.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.351 1.06 . . . . 0.0 111.492 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -59.02 -49.89 76.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.678 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.58 -50.49 67.87 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 113.248 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -59.93 -31.4 69.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.031 0.932 . . . . 0.0 112.961 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -69.51 -4.4 18.72 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.64 -61.46 2.57 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.149 1.341 . . . . 0.0 112.452 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -70.9 -16.78 62.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.38 -0.07 35.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.777 1.231 . . . . 0.0 113.49 167.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.5 m 60.86 37.16 18.7 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.703 2.001 . . . . 0.0 113.79 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -121.38 15.54 11.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.25 1.82 . . . . 0.0 113.476 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -53.47 66.08 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 169.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.61 80.79 2.69 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.089 2.526 . . . . 0.0 112.077 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.0 pt -126.62 57.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.022 1.729 . . . . 0.0 111.311 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 53.64 69.45 0.71 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.846 2.058 . . . . 0.0 112.968 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.94 -51.27 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.845 1.658 . . . . 0.0 111.467 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.474 0.775 0 C-N-CA 124.545 1.138 . . . . 0.0 113.543 178.751 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.55 0.948 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.87 -28.58 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.803 1.241 . . . . 0.0 112.419 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.45 -59.13 14.84 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.835 -1.079 . . . . 0.0 113.59 173.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.58 -33.19 46.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.783 1.655 . . . . 0.0 112.73 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.87 -32.19 69.26 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.458 1.026 . . . . 0.0 112.385 170.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.4 -53.91 7.09 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.166 -0.958 . . . . 0.0 112.057 170.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -60.84 -46.96 88.53 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.322 1.449 . . . . 0.0 114.043 -174.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -67.11 -32.32 73.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.657 0.783 . . . . 0.0 112.626 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.21 -50.73 62.82 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.561 0.744 . . . . 0.0 110.95 168.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -57.78 -44.88 86.54 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 t -61.27 -35.81 78.31 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.353 0.979 . . . . 0.0 113.085 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.0 mt -81.95 -25.12 35.12 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -55.28 -43.27 74.58 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.947 1.299 . . . . 0.0 112.169 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -52.79 -47.07 67.84 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.144 1.777 . . . . 0.0 112.593 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.2 m -75.62 -35.6 60.46 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.067 1.347 . . . . 0.0 113.038 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.031 1.332 . . . . 0.0 113.02 179.07 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -54.6 -47.58 73.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.3 1.44 . . . . 0.0 112.524 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.17 81.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.999 1.32 . . . . 0.0 113.065 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.23 78.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.397 1.079 . . . . 0.0 111.064 177.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -61.44 -37.86 85.08 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.48 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.488 1.04 . . . . 0.0 112.299 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.2 t -60.33 -52.72 64.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.061 0.944 . . . . 0.0 112.289 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.94 -40.66 87.61 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.126 0.971 . . . . 0.0 113.166 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -61.51 -42.77 99.3 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.429 -0.794 . . . . 0.0 112.155 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.17 -29.31 63.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.796 0.838 . . . . 0.0 113.146 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -64.56 -59.0 4.8 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.875 0.87 . . . . 0.0 110.919 171.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.22 -29.73 70.0 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.231 1.412 . . . . 0.0 113.614 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.87 63.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.055 1.742 . . . . 0.0 114.617 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.96 11.86 64.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.468 1.032 . . . . 0.0 114.542 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -128.37 61.71 55.26 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 118.738 1.269 . . . . 0.0 112.281 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.68 -16.67 42.41 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.421 2.747 . . . . 0.0 113.923 -176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.016 1.326 . . . . 0.0 111.858 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -55.36 -48.94 73.49 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.875 -0.516 . . . . 0.0 111.583 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.57 96.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.005 0.922 . . . . 0.0 113.359 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -58.06 -32.07 67.67 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.384 -0.822 . . . . 0.0 113.164 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 mp -75.34 -1.82 25.51 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.654 1.582 . . . . 0.0 114.368 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.57 -58.96 6.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.888 1.222 . . . . 0.0 112.958 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.95 -22.25 66.97 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.23 -3.67 50.09 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.858 1.263 . . . . 0.0 113.315 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t 58.35 31.22 20.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.316 2.246 . . . . 0.0 113.699 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.7 16.23 22.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.219 1.807 . . . . 0.0 113.277 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.67 -56.7 33.11 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 120.762 -1.211 . . . . 0.0 113.716 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.72 84.02 1.49 Allowed 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.076 2.517 . . . . 0.0 112.662 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 pt -130.61 66.9 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.517 1.527 . . . . 0.0 112.024 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 49.53 60.62 3.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.285 1.434 . . . . 0.0 112.193 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.02 -36.73 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.839 1.256 . . . . 0.0 111.199 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 112.75 177.699 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.84 -33.19 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.747 1.219 . . . . 0.0 112.398 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -55.57 -63.12 3.44 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.767 1.227 . . . . 0.0 112.413 171.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.29 -28.04 40.23 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.693 2.262 . . . . 0.0 113.634 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.6 tp -53.52 -58.44 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.163 1.347 . . . . 0.0 110.786 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.91 -47.26 85.61 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.996 0.518 . . . . 0.0 112.043 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -56.4 -59.05 5.53 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -61.02 -39.31 89.28 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.129 0.877 . . . . 0.0 112.89 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -58.46 -54.86 42.27 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -56.03 -40.51 73.55 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.495 1.118 . . . . 0.0 113.893 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.3 m -54.26 -54.79 35.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.776 1.231 . . . . 0.0 112.198 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.15 -25.67 61.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.92 -31.42 68.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -42.83 63.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.935 1.294 . . . . 0.0 112.395 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -84.23 -37.95 21.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.177 0.991 . . . . 0.0 112.789 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -176.498 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 119.37 -0.348 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.37 -45.2 84.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 171.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.12 87.73 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.967 0.907 . . . . 0.0 112.109 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.57 -51.7 68.8 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.472 1.109 . . . . 0.0 112.004 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.78 -47.97 78.94 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.24 -48.48 80.27 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.728 0.695 . . . . 0.0 112.167 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -58.27 -53.0 63.22 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.406 1.082 . . . . 0.0 111.99 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.76 -45.07 95.47 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.737 1.215 . . . . 0.0 113.118 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -62.24 -45.11 94.77 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.107 0.963 . . . . 0.0 112.294 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.61 -42.11 78.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.886 0.766 . . . . 0.0 111.81 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -62.99 -53.36 55.2 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.066 0.946 . . . . 0.0 112.391 169.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.51 68.95 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.7 -7.41 44.44 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.387 1.875 . . . . 0.0 114.36 174.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.91 58.15 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.295 1.426 . . . . 0.0 114.708 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -126.98 60.97 44.6 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 118.859 1.33 . . . . 0.0 112.821 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.77 -14.93 47.03 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.397 2.731 . . . . 0.0 113.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -51.07 -41.29 59.83 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.394 1.078 . . . . 0.0 112.755 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -68.35 -51.65 42.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.393 0.677 . . . . 0.0 111.025 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.97 63.86 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.658 1.183 . . . . 0.0 113.123 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -65.08 -20.93 66.72 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -84.13 -0.55 52.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.075 1.35 . . . . 0.0 114.179 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.63 -52.34 65.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.255 0.934 . . . . 0.0 112.182 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.52 -18.5 64.39 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.93 -2.61 58.71 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.011 1.324 . . . . 0.0 113.117 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.5 m 62.17 21.91 12.77 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 127.801 2.44 . . . . 0.0 115.208 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -90.21 13.73 14.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.47 -53.28 67.73 Favored Pre-proline 0 CA--C 1.552 1.043 0 O-C-N 120.479 -1.388 . . . . 0.0 114.594 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -76.35 80.02 2.83 Favored 'Trans proline' 0 CA--C 1.547 1.158 0 C-N-CA 123.615 2.877 . . . . 0.0 112.384 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 pt -129.99 55.61 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.858 1.663 . . . . 0.0 112.267 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 54.7 76.95 0.22 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.121 1.768 . . . . 0.0 112.068 -172.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -54.19 -39.09 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.927 0.891 . . . . 0.0 111.134 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.464 1.106 . . . . 0.0 112.193 174.773 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.1 mt . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.1 -40.33 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.307 1.043 . . . . 0.0 112.145 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -56.64 -64.39 2.51 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 124.614 1.166 . . . . 0.0 113.269 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.32 -32.54 41.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.264 1.976 . . . . 0.0 113.175 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.3 tp -53.53 -56.45 16.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.939 1.245 . . . . 0.0 110.757 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -54.65 -51.18 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.775 0.83 . . . . 0.0 111.841 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -58.54 -49.76 76.25 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.217 1.007 . . . . 0.0 113.36 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -65.92 -42.85 89.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.729 0.812 . . . . 0.0 112.465 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.69 -51.98 66.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.767 0.712 . . . . 0.0 111.454 171.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -65.34 -8.98 20.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.143 1.777 . . . . 0.0 114.347 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.3 m -87.86 -59.22 2.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.588 1.155 . . . . 0.0 110.547 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.77 -31.66 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -59.91 -30.91 69.35 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.337 0.972 . . . . 0.0 112.794 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.78 -44.09 81.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.509 1.923 . . . . 0.0 111.77 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.42 -46.76 46.65 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.623 1.169 . . . . 0.0 111.735 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.273 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.5 mt . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.48 -43.62 65.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.635 1.107 . . . . 0.0 112.362 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.44 -43.85 65.92 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.04 -49.13 77.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.782 0.833 . . . . 0.0 111.813 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -56.26 -52.17 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.613 1.565 . . . . 0.0 111.629 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.32 68.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -70.55 -52.09 24.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 112.703 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.09 -40.89 97.4 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.662 1.185 . . . . 0.0 113.056 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -58.03 -43.53 86.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.135 1.374 . . . . 0.0 112.191 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.89 -44.61 86.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.653 0.781 . . . . 0.0 112.411 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -61.62 -50.17 73.65 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.348 1.059 . . . . 0.0 111.887 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.68 72.03 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.58 62.81 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.103 1.761 . . . . 0.0 114.392 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.0 2.72 28.32 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.998 1.285 . . . . 0.0 115.47 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -123.78 63.72 29.72 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 119.097 1.449 . . . . 0.0 112.273 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.12 -16.55 52.51 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.54 2.826 . . . . 0.0 113.733 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -50.74 -42.82 57.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.867 1.267 . . . . 0.0 112.53 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.99 -45.36 61.27 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.477 0.58 . . . . 0.0 111.616 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.02 70.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.993 0.917 . . . . 0.0 112.435 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -61.89 -19.05 62.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -84.75 -1.46 56.31 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.537 1.135 . . . . 0.0 113.852 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.27 -60.38 3.83 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.447 1.022 . . . . 0.0 112.379 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.82 -25.46 66.45 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.713 0.805 . . . . 0.0 112.908 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.03 -6.42 49.31 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.642 1.577 . . . . 0.0 113.755 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 t 61.9 40.2 12.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -125.74 25.87 6.8 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.786 1.634 . . . . 0.0 112.934 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -52.4 73.42 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.518 1.127 . . . . 0.0 113.975 167.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.57 84.41 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.882 2.388 . . . . 0.0 111.928 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 pt -132.51 79.79 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.617 1.567 . . . . 0.0 111.165 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m120 51.2 64.12 1.97 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.474 1.51 . . . . 0.0 112.304 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.83 -27.78 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.087 -1.008 . . . . 0.0 111.917 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.48 1.042 0 O-C-N 120.684 -1.26 . . . . 0.0 112.433 173.163 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.58 -29.03 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.153 0.981 . . . . 0.0 112.31 -176.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 -64.24 1.79 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.454 1.102 . . . . 0.0 112.498 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -65.36 -31.06 53.08 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 122.753 2.302 . . . . 0.0 113.516 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.3 -24.8 66.68 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.656 1.116 . . . . 0.0 113.281 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -87.38 -53.62 4.73 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.009 -1.057 . . . . 0.0 111.428 166.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -59.81 -57.15 14.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.288 1.835 . . . . 0.0 113.286 -171.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -61.25 -37.18 82.17 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.155 1.382 . . . . 0.0 112.976 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.65 -51.36 68.8 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.956 1.302 . . . . 0.0 110.04 173.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -64.47 -27.95 69.33 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -58.77 -55.16 38.71 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.006 -1.059 . . . . 0.0 111.229 170.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.16 -29.89 68.88 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -52.84 -36.88 59.43 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.321 0.964 . . . . 0.0 113.153 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -57.21 -41.23 79.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.0 1.32 . . . . 0.0 112.276 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.11 -23.51 21.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.356 1.462 . . . . 0.0 113.609 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 124.752 1.221 . . . . 0.0 113.886 177.154 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 119.868 -0.111 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.51 -52.29 65.29 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.434 0.693 . . . . 0.0 111.125 171.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.35 86.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.163 0.985 . . . . 0.0 112.679 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -55.24 36.47 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.934 1.293 . . . . 0.0 111.805 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.88 -43.4 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.174 0.989 . . . . 0.0 111.975 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.31 43.03 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -68.71 -24.02 64.43 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.48 -39.07 39.39 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.134 1.373 . . . . 0.0 112.374 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -65.83 -46.76 77.36 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.231 -0.918 . . . . 0.0 112.433 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.23 -45.44 79.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.999 0.919 . . . . 0.0 112.946 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -66.8 -39.72 87.83 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 174.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.92 77.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.301 1.04 . . . . 0.0 112.927 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.36 86.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.117 1.767 . . . . 0.0 111.954 175.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 135.42 8.59 1.73 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.747 1.165 . . . . 0.0 115.018 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -124.89 64.27 42.42 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.952 1.301 . . . . 0.0 111.671 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.89 -21.14 64.46 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.294 2.663 . . . . 0.0 113.184 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -51.95 -44.2 63.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.772 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -62.88 -49.62 74.12 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.666 0.666 . . . . 0.0 111.366 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.06 -44.54 74.85 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.698 0.799 . . . . 0.0 112.886 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -62.11 -28.61 69.75 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.77 -3.56 26.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.516 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.15 -49.36 72.42 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.151 1.341 . . . . 0.0 112.936 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.54 -28.57 68.65 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.599 -0.688 . . . . 0.0 112.768 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.85 -6.64 56.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.524 1.53 . . . . 0.0 113.564 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t 52.09 55.97 8.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.178 2.191 . . . . 0.0 113.353 -172.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -121.67 15.47 11.06 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.726 1.611 . . . . 0.0 113.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.95 -52.81 70.94 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.52 78.01 3.44 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.124 2.55 . . . . 0.0 112.149 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 pt -126.09 73.69 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.024 1.73 . . . . 0.0 111.593 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 51.24 65.64 1.42 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.819 1.648 . . . . 0.0 112.572 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.2 mt -50.61 -46.74 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.609 1.164 . . . . 0.0 111.75 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 124.482 1.113 . . . . 0.0 113.563 177.103 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.06 -19.09 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 125.054 1.341 . . . . 0.0 112.509 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -61.67 -60.38 10.53 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.718 -1.239 . . . . 0.0 113.55 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.73 -26.4 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.151 1.901 . . . . 0.0 113.299 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.68 -45.12 81.91 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.626 1.17 . . . . 0.0 112.841 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.5 p -63.57 -33.0 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.829 1.195 . . . . 0.0 113.271 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -61.67 -55.28 32.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.613 0.765 . . . . 0.0 110.582 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -58.15 -37.74 75.23 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.896 0.878 . . . . 0.0 113.248 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.68 -51.42 69.85 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.387 0.675 . . . . 0.0 111.65 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.87 -25.42 68.28 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -59.78 -55.58 32.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.136 -0.978 . . . . 0.0 112.077 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.42 -23.8 63.75 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -54.64 -31.05 56.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.305 0.957 . . . . 0.0 113.007 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -50.76 -52.82 37.08 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.701 1.2 . . . . 0.0 111.817 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.36 -36.04 22.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.384 1.074 . . . . 0.0 112.932 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.6 -30.18 29.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.401 1.08 . . . . 0.0 113.105 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.95 85.93 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.497 1.044 . . . . 0.0 113.382 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -66.69 -50.69 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.14 0.976 . . . . 0.0 110.594 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -58.65 -40.58 83.87 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.963 0.905 . . . . 0.0 112.538 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.37 47.93 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.546 1.138 . . . . 0.0 112.487 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.64 -50.46 68.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.084 0.953 . . . . 0.0 111.683 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.0 -33.94 72.67 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -70.55 -44.31 67.71 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.026 -1.046 . . . . 0.0 112.407 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.67 -46.24 81.24 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.194 0.906 . . . . 0.0 112.194 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -44.56 94.35 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.115 0.966 . . . . 0.0 113.274 171.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.32 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.78 -9.45 57.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.5 6.53 41.18 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.264 1.411 . . . . 0.0 115.099 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -124.88 66.15 48.44 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.042 1.421 . . . . 0.0 112.357 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.15 -22.02 47.73 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.358 2.705 . . . . 0.0 113.436 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -56.04 -45.24 79.25 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.492 1.117 . . . . 0.0 111.812 175.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -57.83 -52.8 63.96 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.457 0.571 . . . . 0.0 111.322 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.9 70.18 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.008 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -60.48 -35.34 75.67 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.56 -0.39 8.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.71 -53.35 58.47 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.618 1.099 . . . . 0.0 112.377 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.16 -21.72 63.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.517 0.727 . . . . 0.0 112.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -78.2 -5.68 52.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 113.435 169.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 m 61.68 29.43 18.12 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.003 2.121 . . . . 0.0 114.75 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -103.76 21.67 15.83 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.756 1.222 . . . . 0.0 113.856 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -54.04 33.3 Favored Pre-proline 0 CA--C 1.551 1.006 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 169.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -76.11 78.84 3.08 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.184 2.589 . . . . 0.0 112.196 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -131.68 48.16 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.021 1.728 . . . . 0.0 112.444 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 58.0 84.81 0.1 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.382 1.873 . . . . 0.0 112.559 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.29 -34.79 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.038 0.935 . . . . 0.0 111.694 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.479 0.985 0 C-N-CA 124.808 1.243 . . . . 0.0 112.342 177.151 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.65 -35.54 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 112.061 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.08 -62.55 2.7 Favored Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.0 -40.2 28.55 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.595 2.197 . . . . 0.0 112.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 tt -54.86 -48.98 72.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.278 1.031 . . . . 0.0 111.783 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.65 3.56 2.4 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.871 1.668 . . . . 0.0 114.335 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -47.92 3.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.34 1.456 . . . . 0.0 111.287 168.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -60.39 -39.42 87.25 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.292 1.037 . . . . 0.0 112.707 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.79 -46.41 68.78 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.774 -0.579 . . . . 0.0 112.108 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -70.95 -2.31 14.8 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -103.31 -40.8 6.25 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.802 -1.187 . . . . 0.0 112.606 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.45 -37.59 65.76 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.135 -0.978 . . . . 0.0 113.112 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -58.23 -36.46 73.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.409 1.004 . . . . 0.0 113.278 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -62.39 -43.91 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.889 2.076 . . . . 0.0 111.471 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.1 t -69.71 -38.72 77.02 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.525 1.13 . . . . 0.0 112.749 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -178.773 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 119.331 -0.366 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.03 -41.5 71.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.65 0.659 . . . . 0.0 112.126 174.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.75 46.24 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.986 0.914 . . . . 0.0 113.438 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.27 -45.69 87.42 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.738 1.215 . . . . 0.0 111.75 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -54.06 -45.78 71.77 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.727 1.211 . . . . 0.0 112.006 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.11 67.06 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.148 0.885 . . . . 0.0 112.961 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -62.09 -43.23 99.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.64 -43.3 94.13 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.681 0.793 . . . . 0.0 112.282 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.68 -41.47 99.12 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.26 1.424 . . . . 0.0 112.551 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.76 -41.35 77.44 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.553 1.141 . . . . 0.0 113.116 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -61.0 -52.81 63.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.751 1.22 . . . . 0.0 111.375 172.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.94 75.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.242 1.017 . . . . 0.0 113.672 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.52 -8.23 49.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.13 1.772 . . . . 0.0 114.1 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.29 15.6 62.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.584 1.088 . . . . 0.0 114.713 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -126.74 61.28 44.47 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.05 1.34 . . . . 0.0 112.342 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.93 -19.63 39.89 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.245 2.63 . . . . 0.0 113.369 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -57.31 -46.27 83.36 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.095 0.958 . . . . 0.0 111.637 175.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -58.45 -41.48 85.23 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.748 0.704 . . . . 0.0 112.135 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.84 -36.24 74.23 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.552 1.069 . . . . 0.0 112.999 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -67.02 -29.24 69.0 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.72 -18.5 65.37 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.327 0.967 . . . . 0.0 113.37 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.25 -44.89 93.89 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.689 1.131 . . . . 0.0 112.402 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.63 -14.43 62.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.679 1.192 . . . . 0.0 113.417 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.37 7.07 31.01 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.131 1.772 . . . . 0.0 112.609 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . 0.256 84.3 p 49.89 23.56 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.961 2.904 . . . . 0.0 115.883 -172.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -83.6 6.41 20.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.472 1.909 . . . . 0.0 114.276 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -52.52 60.95 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.75 81.57 2.64 Favored 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 123.179 2.586 . . . . 0.0 112.441 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 pt -128.24 65.05 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.963 1.705 . . . . 0.0 112.037 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 51.16 71.78 0.41 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.969 1.708 . . . . 0.0 112.476 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.3 mt -52.41 -42.61 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.296 1.038 . . . . 0.0 111.648 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 124.474 1.11 . . . . 0.0 111.789 176.881 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.18 -14.5 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 124.425 1.09 . . . . 0.0 112.279 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.46 -64.69 2.11 Favored Pre-proline 0 CA--C 1.55 0.947 0 O-C-N 120.671 -1.268 . . . . 0.0 112.749 162.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.66 -17.61 57.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.975 2.45 . . . . 0.0 114.224 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.3 tp -51.68 -42.88 62.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.292 1.037 . . . . 0.0 111.72 167.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.77 -41.61 74.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.216 1.006 . . . . 0.0 112.473 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.1 mmt-85 -63.26 -52.14 63.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.381 1.472 . . . . 0.0 111.383 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -62.56 -42.56 99.62 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.907 0.883 . . . . 0.0 112.842 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.76 -48.48 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.151 0.58 . . . . 0.0 112.012 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.56 -31.65 72.88 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.6 m -58.73 -50.63 73.21 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.078 0.951 . . . . 0.0 111.289 175.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.14 -24.78 61.51 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -56.91 -35.69 69.31 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.721 1.146 . . . . 0.0 112.573 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -53.7 -49.65 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.372 1.069 . . . . 0.0 111.577 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.73 -40.22 66.27 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.036 1.334 . . . . 0.0 112.815 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 124.084 0.954 . . . . 0.0 113.159 -179.172 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.733 -0.099 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -29.57 58.54 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.365 -0.834 . . . . 0.0 112.444 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -47.76 74.18 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.81 -49.15 77.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.294 1.038 . . . . 0.0 110.951 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -55.18 -49.21 72.47 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.397 0.679 . . . . 0.0 112.185 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.51 73.19 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.918 0.887 . . . . 0.0 113.037 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.0 m -56.15 -49.49 73.79 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.386 0.674 . . . . 0.0 112.112 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.61 -43.04 98.03 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.386 1.074 . . . . 0.0 113.022 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.82 -45.23 90.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.835 1.254 . . . . 0.0 112.357 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.02 -51.9 66.13 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.199 1.0 . . . . 0.0 112.123 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -62.72 -42.97 99.92 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.14 82.81 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.89 -7.45 45.76 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.149 1.78 . . . . 0.0 113.964 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.39 11.63 55.49 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.095 1.331 . . . . 0.0 114.736 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -124.5 59.48 20.54 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.303 1.441 . . . . 0.0 112.614 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.5 -20.18 48.01 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.287 2.658 . . . . 0.0 113.386 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -45.39 64.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.544 1.538 . . . . 0.0 112.101 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -62.17 -53.16 59.28 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.769 174.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.93 69.62 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 113.345 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -63.33 -20.23 65.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -88.54 -0.29 57.08 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.505 1.522 . . . . 0.0 114.251 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -60.64 -53.38 58.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.668 1.122 . . . . 0.0 112.339 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.76 -17.38 64.03 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -84.43 -5.11 59.25 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.13 1.372 . . . . 0.0 113.005 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 m 61.4 16.73 7.72 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 128.315 2.646 . . . . 0.0 115.272 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -88.34 20.65 3.19 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.45 1.5 . . . . 0.0 114.045 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.54 -57.66 21.25 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.53 79.39 3.34 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 122.993 2.462 . . . . 0.0 112.06 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 pt -123.78 61.86 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.855 1.662 . . . . 0.0 111.646 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.69 74.22 0.36 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.244 1.817 . . . . 0.0 111.845 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -53.59 -39.17 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.659 1.184 . . . . 0.0 111.515 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.475 0.815 0 C-N-CA 125.059 1.344 . . . . 0.0 112.293 175.497 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -66.59 -39.37 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.752 1.221 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.0 -59.22 11.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.23 -30.19 31.32 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.149 1.899 . . . . 0.0 113.11 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.09 -51.38 68.11 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.697 1.135 . . . . 0.0 111.389 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -53.74 -43.71 69.34 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.324 0.65 . . . . 0.0 112.69 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -61.53 -55.31 32.39 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.741 0.816 . . . . 0.0 112.189 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -63.03 -30.21 71.42 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.71 -56.64 7.47 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.494 0.718 . . . . 0.0 111.397 167.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.54 -39.0 78.97 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 t -63.14 -30.64 71.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.312 0.96 . . . . 0.0 113.014 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -80.17 -24.8 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -55.76 -37.55 68.68 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.842 1.201 . . . . 0.0 112.23 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -53.59 -40.87 66.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.165 1.786 . . . . 0.0 112.869 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.4 m -93.16 -24.41 18.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.063 1.345 . . . . 0.0 113.524 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 124.614 1.166 . . . . 0.0 112.536 175.292 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.766 0.317 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.57 -27.76 58.61 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.557 1.143 . . . . 0.0 113.773 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.84 58.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.009 0.822 . . . . 0.0 112.11 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -55.77 -52.85 62.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.569 1.547 . . . . 0.0 110.805 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.58 -40.44 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -55.33 36.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.117 1.326 . . . . 0.0 112.036 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.0 m -56.21 -50.87 70.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.206 0.603 . . . . 0.0 112.26 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.99 -42.22 98.91 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.689 0.796 . . . . 0.0 112.959 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.542 0.737 . . . . 0.0 112.622 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.39 -38.63 74.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.962 0.801 . . . . 0.0 112.398 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -65.62 -48.67 71.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.579 0.751 . . . . 0.0 111.28 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.13 76.73 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.548 1.139 . . . . 0.0 113.433 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -7.67 45.08 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.9 1.68 . . . . 0.0 114.336 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 13.08 67.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.878 1.228 . . . . 0.0 114.719 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -125.93 59.83 30.89 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.315 1.446 . . . . 0.0 112.635 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.09 -18.59 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.243 2.628 . . . . 0.0 113.488 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -54.81 -45.41 74.39 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.645 1.178 . . . . 0.0 111.885 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -62.02 -44.09 97.45 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.995 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.04 84.92 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.577 1.08 . . . . 0.0 112.712 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -61.04 -20.9 63.08 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.2 mt -68.37 -15.73 63.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.552 1.069 . . . . 0.0 113.542 173.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.14 -56.76 9.79 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.862 1.21 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 -24.17 65.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.162 0.985 . . . . 0.0 112.857 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -83.59 -4.15 58.32 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.889 1.275 . . . . 0.0 113.738 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.5 m 62.11 37.64 14.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.017 2.127 . . . . 0.0 114.643 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -122.9 21.4 9.9 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.683 1.593 . . . . 0.0 114.336 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.8 -50.55 87.37 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 120.449 -1.407 . . . . 0.0 114.436 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -77.55 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.159 2.573 . . . . 0.0 112.362 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.6 pt -129.65 50.79 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.024 1.73 . . . . 0.0 112.148 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 51.93 75.77 0.2 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.25 1.82 . . . . 0.0 112.705 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.17 -31.89 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.223 1.009 . . . . 0.0 111.367 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 124.883 1.273 . . . . 0.0 112.251 178.172 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.38 -27.2 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.793 1.237 . . . . 0.0 112.799 -176.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.11 -60.7 8.82 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.178 0.991 . . . . 0.0 112.583 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -66.2 -28.23 48.21 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.288 1.992 . . . . 0.0 113.764 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -54.19 -53.71 49.69 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.1 1.318 . . . . 0.0 111.043 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.02 -49.45 75.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 122.817 0.447 . . . . 0.0 112.038 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -55.18 -58.43 7.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.499 0.719 . . . . 0.0 112.401 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 -58.75 -38.14 77.78 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.732 0.813 . . . . 0.0 112.962 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.11 -51.89 61.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.402 0.681 . . . . 0.0 111.549 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -56.93 -38.14 72.49 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.829 1.252 . . . . 0.0 113.761 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -51.78 -57.67 8.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.449 1.5 . . . . 0.0 111.889 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.73 -27.97 61.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.032 0.933 . . . . 0.0 113.105 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -56.97 -36.82 70.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -49.45 -48.78 47.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.765 1.226 . . . . 0.0 112.17 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 48.4 t -69.83 -54.17 14.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.7 1.2 . . . . 0.0 111.893 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.472 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.85 -42.56 65.33 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.339 1.427 . . . . 0.0 112.755 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.8 -48.29 66.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.662 0.785 . . . . 0.0 112.78 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.07 -35.97 81.97 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.81 -43.03 99.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.345 1.058 . . . . 0.0 111.525 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.0 -59.19 5.25 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.469 1.031 . . . . 0.0 112.465 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.6 p -62.32 -41.13 98.3 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.039 0.836 . . . . 0.0 113.126 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.29 -38.92 93.04 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.917 -1.114 . . . . 0.0 112.995 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.64 -51.64 64.3 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.069 0.948 . . . . 0.0 112.246 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.95 -36.05 78.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.778 1.172 . . . . 0.0 112.327 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.46 -53.23 60.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.685 1.194 . . . . 0.0 111.627 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.72 78.99 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -26.38 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.51 1.524 . . . . 0.0 113.904 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.59 6.5 9.48 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.746 1.165 . . . . 0.0 115.483 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -125.5 64.27 47.54 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 119.053 1.426 . . . . 0.0 111.948 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -66.38 -23.97 50.59 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.362 2.708 . . . . 0.0 113.339 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -52.5 -44.64 65.82 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.476 1.511 . . . . 0.0 112.897 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.91 -49.0 64.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.91 -47.83 70.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.233 1.013 . . . . 0.0 113.216 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.7 -25.58 66.51 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.35 -0.98 24.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 114.244 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -60.2 -60.78 3.28 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.721 1.146 . . . . 0.0 112.761 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.19 -23.37 63.91 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.67 -8.0 51.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.162 1.385 . . . . 0.0 113.379 168.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.01 35.38 13.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.816 2.046 . . . . 0.0 113.594 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -121.78 30.82 6.5 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.867 1.667 . . . . 0.0 112.747 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -53.82 56.64 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 165.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.97 78.47 3.15 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 123.351 2.701 . . . . 0.0 112.475 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.0 pt -131.67 74.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.708 1.603 . . . . 0.0 112.158 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m120 53.82 70.33 0.61 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.809 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.29 -22.9 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.129 1.372 . . . . 0.0 112.604 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.479 1.018 0 C-N-CA 125.031 1.332 . . . . 0.0 112.587 174.295 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 CA--C 1.545 0.788 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.7 t -64.05 -35.09 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 126.273 1.829 . . . . 0.0 112.971 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.22 -63.04 4.66 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.966 0.907 . . . . 0.0 113.223 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -67.65 -25.28 40.53 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 122.369 2.046 . . . . 0.0 113.737 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.39 -42.12 81.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.078 0.854 . . . . 0.0 111.441 168.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.39 -51.18 66.89 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.37 -0.831 . . . . 0.0 112.049 170.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -52.31 -60.91 2.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.206 1.002 . . . . 0.0 113.005 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.69 -37.88 88.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.53 -49.2 78.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.221 0.608 . . . . 0.0 111.46 170.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.4 -37.9 82.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.601 1.16 . . . . 0.0 113.932 176.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -55.12 -52.5 63.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.362 0.983 . . . . 0.0 111.575 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.6 mt -73.38 -26.65 61.09 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -40.73 71.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.06 . . . . 0.0 112.677 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -51.45 -48.28 62.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.156 1.382 . . . . 0.0 112.283 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.9 m -79.1 -38.03 37.23 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.543 1.137 . . . . 0.0 113.01 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.753 0 C-N-CA 124.603 1.161 . . . . 0.0 112.876 -179.484 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -54.4 -39.81 67.63 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.055 0.942 . . . . 0.0 112.059 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.58 95.25 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.43 -54.92 41.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.353 1.061 . . . . 0.0 110.954 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -59.56 -42.24 91.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.365 1.066 . . . . 0.0 112.737 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.74 -53.76 54.0 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.674 1.19 . . . . 0.0 112.658 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.353 1.061 . . . . 0.0 112.251 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.73 -38.74 76.97 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -61.15 -43.8 98.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.874 0.87 . . . . 0.0 112.116 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.56 -41.32 69.66 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.32 1.048 . . . . 0.0 113.444 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.22 -54.12 49.56 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.976 1.31 . . . . 0.0 111.074 173.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.88 73.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.582 1.153 . . . . 0.0 113.936 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.07 -11.84 61.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.861 1.664 . . . . 0.0 114.195 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.29 13.51 55.74 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.932 1.254 . . . . 0.0 114.602 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.96 58.69 30.89 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.969 1.308 . . . . 0.0 112.683 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.31 -19.69 55.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.137 2.558 . . . . 0.0 113.262 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -53.9 -48.63 69.93 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.454 1.102 . . . . 0.0 112.369 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -65.28 -39.24 92.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.654 -0.654 . . . . 0.0 111.461 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.82 94.1 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.88 0.764 . . . . 0.0 112.226 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.53 -33.33 71.26 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.36 -10.6 17.41 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -63.31 -48.1 79.47 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.351 1.432 . . . . 0.0 111.708 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -69.21 -24.88 64.09 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.073 0.949 . . . . 0.0 112.645 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.03 -6.06 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.88 1.272 . . . . 0.0 113.347 171.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 m 59.63 39.05 21.73 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.719 2.008 . . . . 0.0 114.02 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -121.54 24.46 9.83 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.741 1.616 . . . . 0.0 114.062 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.32 -47.41 99.08 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 120.333 -1.479 . . . . 0.0 114.641 165.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.76 77.09 4.21 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.971 2.447 . . . . 0.0 112.572 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 pt -130.72 51.77 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.744 1.618 . . . . 0.0 112.667 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 58.99 78.18 0.27 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.866 1.666 . . . . 0.0 112.435 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -51.85 -48.29 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.173 1.389 . . . . 0.0 111.56 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 124.028 0.931 . . . . 0.0 113.503 -178.73 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 121.361 0.601 . . . . 0.0 111.934 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.8 -29.15 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.113 1.365 . . . . 0.0 112.217 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.14 -57.55 16.04 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.388 1.475 . . . . 0.0 113.924 174.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.78 -35.34 36.71 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.745 1.63 . . . . 0.0 112.23 173.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.67 -21.98 66.66 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 p -91.13 -46.63 7.99 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.686 1.585 . . . . 0.0 112.332 167.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -59.46 -50.4 74.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.498 1.119 . . . . 0.0 113.22 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.01 -41.88 99.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.201 1.0 . . . . 0.0 112.367 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.96 -37.9 82.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.939 0.896 . . . . 0.0 112.134 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.11 -34.36 73.38 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.01 0.924 . . . . 0.0 113.108 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.2 m -64.75 -53.56 45.12 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.56 -0.712 . . . . 0.0 111.695 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.84 -26.5 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.27 -44.12 79.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.923 . . . . 0.0 112.118 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -49.76 76.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.854 0.862 . . . . 0.0 111.574 174.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.48 -31.82 72.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.019 1.328 . . . . 0.0 113.583 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 125.301 1.441 . . . . 0.0 113.228 174.708 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.2 mt . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -64.98 -35.77 82.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.167 0.587 . . . . 0.0 112.451 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.4 78.87 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -55.18 -54.93 37.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.657 1.183 . . . . 0.0 110.786 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.98 -44.62 94.36 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.496 0.719 . . . . 0.0 112.664 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.3 -55.46 34.53 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.729 1.15 . . . . 0.0 113.015 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.5 t -59.67 -48.71 80.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.328 0.651 . . . . 0.0 112.218 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.58 -35.91 82.2 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -62.02 -48.93 78.09 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.441 -0.787 . . . . 0.0 111.95 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -37.08 79.76 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.353 0.978 . . . . 0.0 112.822 177.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.27 -47.82 84.25 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.418 1.487 . . . . 0.0 111.784 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.11 76.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.467 1.107 . . . . 0.0 113.853 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.5 -13.29 60.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.994 1.718 . . . . 0.0 114.489 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.49 15.14 55.91 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.64 1.114 . . . . 0.0 114.423 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -124.52 59.69 21.55 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.937 1.295 . . . . 0.0 112.239 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -68.93 -15.39 40.13 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.0 2.466 . . . . 0.0 113.264 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -52.33 -53.74 40.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.687 1.195 . . . . 0.0 112.186 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -66.66 -38.25 86.45 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.557 -0.714 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.79 90.42 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.768 0.713 . . . . 0.0 112.504 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -62.79 -31.37 72.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 113.613 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.35 -10.41 24.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.277 1.031 . . . . 0.0 113.616 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.68 -50.41 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.018 1.281 . . . . 0.0 112.097 170.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.19 -29.54 69.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.338 1.055 . . . . 0.0 112.627 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.9 -2.7 52.13 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.616 1.167 . . . . 0.0 113.549 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 t 54.1 56.14 7.39 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.307 2.243 . . . . 0.0 113.386 -173.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -127.93 17.06 6.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.658 1.983 . . . . 0.0 113.051 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.93 99.52 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 120.529 -1.357 . . . . 0.0 114.478 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.98 79.84 3.19 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.002 2.468 . . . . 0.0 112.583 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 pt -131.33 45.82 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 126.09 1.756 . . . . 0.0 112.672 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 62.07 84.21 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.816 2.046 . . . . 0.0 112.246 -175.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.6 -42.38 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 125.506 1.523 . . . . 0.0 112.737 177.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -75.44 -27.6 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.686 1.195 . . . . 0.0 112.645 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.26 -59.59 12.89 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 121.014 -1.053 . . . . 0.0 113.564 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.01 -27.95 42.04 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.521 2.147 . . . . 0.0 113.592 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.32 -47.04 79.52 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.169 0.895 . . . . 0.0 111.2 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 t -55.18 -44.41 75.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.344 0.657 . . . . 0.0 112.249 176.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -57.92 -59.91 4.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.448 1.099 . . . . 0.0 112.038 174.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.7 -34.64 78.77 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -173.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.5 -40.72 93.38 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.075 0.852 . . . . 0.0 112.65 172.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.89 -37.5 82.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.329 1.052 . . . . 0.0 112.561 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 m -57.86 -57.06 14.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.852 1.261 . . . . 0.0 112.247 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.62 -27.85 65.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.11 -46.31 68.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.82 0.848 . . . . 0.0 111.835 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.91 -50.87 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.528 0.731 . . . . 0.0 112.463 176.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.12 -42.64 99.44 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.338 0.655 . . . . 0.0 112.307 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 124.552 1.141 . . . . 0.0 113.3 176.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.59 -35.06 73.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.394 -0.816 . . . . 0.0 111.891 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.88 -38.11 54.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.967 0.907 . . . . 0.0 113.329 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -55.84 -50.49 70.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.231 1.412 . . . . 0.0 111.758 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.87 -38.47 78.86 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.25 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.714 0.805 . . . . 0.0 113.078 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.43 -30.31 71.35 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.52 -51.07 25.59 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.271 0.941 . . . . 0.0 112.358 172.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -58.53 -40.55 83.25 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.516 -0.74 . . . . 0.0 112.627 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.42 -31.55 65.98 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -72.51 -48.06 43.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.631 0.772 . . . . 0.0 111.105 174.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.29 72.54 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.69 1.196 . . . . 0.0 113.233 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.25 -11.49 59.44 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.627 1.571 . . . . 0.0 114.408 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.27 14.8 63.44 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.969 1.271 . . . . 0.0 114.513 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -124.31 58.16 15.68 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 112.527 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.33 -19.58 55.73 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.108 2.539 . . . . 0.0 113.42 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -54.73 -37.44 65.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -58.06 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.538 0.608 . . . . 0.0 110.702 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -44.79 64.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.236 1.014 . . . . 0.0 113.341 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -63.03 -23.03 67.26 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.37 -2.11 54.99 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.231 1.412 . . . . 0.0 114.066 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.2 -51.57 69.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.65 1.114 . . . . 0.0 112.294 175.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.68 -25.3 67.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.349 1.06 . . . . 0.0 113.085 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -88.62 3.21 51.37 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.279 1.432 . . . . 0.0 113.143 174.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.4 m 55.17 31.95 17.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.871 2.068 . . . . 0.0 113.982 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -101.34 13.47 34.97 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.876 2.07 . . . . 0.0 113.25 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.03 -56.61 31.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 120.825 -1.172 . . . . 0.0 113.847 169.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.05 81.24 2.26 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.296 2.664 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 pt -125.04 76.39 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.028 1.731 . . . . 0.0 111.418 175.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.0 t30 50.15 52.01 15.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.508 1.523 . . . . 0.0 112.708 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.8 mt -52.88 -43.81 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.784 1.633 . . . . 0.0 111.536 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 125.823 1.649 . . . . 0.0 114.302 177.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.5 tp . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.21 -30.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.401 1.48 . . . . 0.0 112.835 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.77 -62.77 3.62 Favored Pre-proline 0 N--CA 1.475 0.788 0 CA-C-O 118.244 -0.884 . . . . 0.0 112.098 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -65.41 -31.61 51.54 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.425 2.084 . . . . 0.0 113.209 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.4 tp -51.31 -55.45 18.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.967 1.258 . . . . 0.0 111.067 170.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.6 t -63.37 -50.47 69.81 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.876 -0.515 . . . . 0.0 112.314 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -55.46 -50.72 69.12 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.562 1.545 . . . . 0.0 112.993 -175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.65 -43.18 94.47 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.591 1.156 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.83 -48.82 80.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.595 0.758 . . . . 0.0 111.825 172.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.33 -39.29 86.55 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.355 1.462 . . . . 0.0 113.35 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.0 m -58.81 -44.76 90.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.226 1.01 . . . . 0.0 111.618 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 mp -75.19 -31.14 60.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 175.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -54.65 -39.27 67.84 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.365 1.066 . . . . 0.0 112.551 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -50.4 -41.03 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.417 1.887 . . . . 0.0 113.047 172.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.3 t -88.0 -37.69 16.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.972 1.309 . . . . 0.0 112.667 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.296 1.438 . . . . 0.0 113.823 -176.167 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.33 -49.06 70.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.038 0.935 . . . . 0.0 112.196 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.08 83.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.73 0.812 . . . . 0.0 112.908 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -60.53 -54.34 46.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.501 1.52 . . . . 0.0 112.045 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.11 -30.8 71.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.845 0.858 . . . . 0.0 113.276 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.65 5.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.945 1.248 . . . . 0.0 112.427 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 m -57.31 -44.33 84.03 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.25 0.62 . . . . 0.0 112.556 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.07 -40.55 98.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -62.69 -45.07 94.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.717 0.807 . . . . 0.0 112.373 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.04 -45.88 71.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.228 0.922 . . . . 0.0 112.031 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -61.18 -53.27 59.02 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 111.96 173.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.61 74.2 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.693 1.197 . . . . 0.0 113.796 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.87 -11.99 61.06 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.034 1.734 . . . . 0.0 114.341 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.98 8.33 48.22 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.791 1.186 . . . . 0.0 115.332 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.36 65.21 57.96 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 119.1 1.45 . . . . 0.0 112.455 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.3 -17.54 54.25 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.189 2.593 . . . . 0.0 113.872 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.24 -36.97 53.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.665 1.186 . . . . 0.0 113.074 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -69.93 -53.8 16.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.357 0.663 . . . . 0.0 111.061 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.64 -44.45 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.371 1.068 . . . . 0.0 113.521 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -64.72 -14.83 60.17 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.75 3.7 55.14 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.432 1.493 . . . . 0.0 113.777 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.99 -58.42 8.51 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.591 1.087 . . . . 0.0 112.109 175.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.5 -25.96 64.31 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.404 0.682 . . . . 0.0 112.759 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.86 -5.39 48.19 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.55 1.14 . . . . 0.0 113.096 170.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 m 58.27 39.94 25.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.943 2.497 . . . . 0.0 114.907 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -116.87 29.6 7.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.905 1.282 . . . . 0.0 113.058 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.97 -54.47 56.14 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.432 1.093 . . . . 0.0 113.558 164.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.08 83.4 2.14 Favored 'Trans proline' 0 CA--C 1.546 1.098 0 C-N-CA 123.188 2.592 . . . . 0.0 112.628 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 pt -133.81 64.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.602 1.561 . . . . 0.0 112.642 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 48.82 79.75 0.07 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.845 1.658 . . . . 0.0 113.089 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.51 -36.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 121.091 -1.006 . . . . 0.0 111.561 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 125.974 1.71 . . . . 0.0 113.14 176.752 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.13 -32.83 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.676 1.19 . . . . 0.0 112.401 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -51.49 -63.14 2.2 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-O 118.13 -0.938 . . . . 0.0 113.089 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.15 -35.59 63.27 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.111 1.874 . . . . 0.0 112.73 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 63.0 tp -54.81 -55.19 32.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.231 1.012 . . . . 0.0 111.744 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.88 -42.8 99.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.456 0.702 . . . . 0.0 112.299 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -58.52 -56.24 24.64 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.011 1.325 . . . . 0.0 112.713 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -58.9 -42.21 89.04 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.359 0.981 . . . . 0.0 112.46 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.02 -55.64 32.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.599 1.159 . . . . 0.0 111.299 170.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.0 -35.31 74.76 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.0 m -59.59 -54.87 41.47 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.291 1.036 . . . . 0.0 111.268 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.3 -24.44 62.14 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -54.15 -33.58 58.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.401 1.001 . . . . 0.0 112.699 171.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.45 -50.22 70.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.965 0.906 . . . . 0.0 111.609 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.4 m -77.42 -38.56 49.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.781 0.832 . . . . 0.0 113.103 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 124.243 1.017 . . . . 0.0 113.543 -177.225 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 119.035 -0.507 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.81 -46.32 87.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.322 0.965 . . . . 0.0 112.741 173.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.25 87.33 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.623 0.647 . . . . 0.0 112.283 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -59.52 -56.21 24.8 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.373 1.469 . . . . 0.0 111.251 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.64 -38.1 83.69 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.377 1.071 . . . . 0.0 112.946 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -53.27 60.08 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 120.507 1.503 . . . . 0.0 111.832 174.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.98 -52.34 65.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.472 1.109 . . . . 0.0 112.044 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -69.95 -27.75 65.0 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -74.99 -42.03 58.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.865 -1.147 . . . . 0.0 112.231 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -56.58 -44.33 80.91 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.806 0.73 . . . . 0.0 112.311 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -61.99 -44.81 95.95 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -33.67 76.29 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.293 1.037 . . . . 0.0 113.313 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -7.06 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.042 1.737 . . . . 0.0 114.085 172.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.26 11.63 58.27 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.118 1.342 . . . . 0.0 114.46 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -125.93 59.85 31.01 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.049 1.34 . . . . 0.0 112.726 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -65.48 -21.15 60.64 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.214 2.609 . . . . 0.0 113.211 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -54.66 -40.45 69.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.914 1.286 . . . . 0.0 112.87 174.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.0 -50.64 65.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.623 0.647 . . . . 0.0 111.207 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.79 74.86 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.921 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -59.09 -28.46 66.52 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.78 0.42 34.85 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.162 1.385 . . . . 0.0 114.244 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -61.61 -61.93 2.17 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.544 1.066 . . . . 0.0 112.528 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.63 -22.16 64.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.48 -6.71 45.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.496 1.518 . . . . 0.0 113.578 169.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t 60.35 44.03 12.78 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.706 2.002 . . . . 0.0 112.977 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -122.78 16.27 10.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.262 1.825 . . . . 0.0 113.092 -173.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -56.15 38.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.01 83.4 1.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.89 2.393 . . . . 0.0 112.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.26 74.81 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.194 1.798 . . . . 0.0 110.859 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 m120 51.11 64.08 1.98 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.859 1.663 . . . . 0.0 112.049 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.11 -36.4 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.151 0.981 . . . . 0.0 111.902 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 124.182 0.993 . . . . 0.0 112.372 175.121 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 CA--C 1.546 0.806 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.81 -34.86 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.998 1.319 . . . . 0.0 112.419 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.78 -63.51 2.52 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.716 1.206 . . . . 0.0 112.366 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.62 -32.4 48.07 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.516 2.144 . . . . 0.0 113.397 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.5 tp -55.32 -52.5 63.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 120.166 1.348 . . . . 0.0 111.411 172.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.57 -53.09 60.93 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.603 0.761 . . . . 0.0 111.841 174.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -58.19 -55.07 39.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.601 1.56 . . . . 0.0 113.148 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -60.52 -39.11 86.62 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.243 0.929 . . . . 0.0 112.589 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.36 -52.17 65.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.552 0.741 . . . . 0.0 111.268 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -56.31 -42.79 78.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.565 1.146 . . . . 0.0 113.741 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.0 m -61.65 -46.23 90.66 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.394 -0.817 . . . . 0.0 112.461 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.5 mt -72.28 -27.12 62.27 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.4 -34.34 72.33 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.449 1.022 . . . . 0.0 112.739 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -41.73 66.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.917 1.287 . . . . 0.0 112.482 171.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -87.99 -20.55 25.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.637 1.175 . . . . 0.0 113.863 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 124.487 1.115 . . . . 0.0 113.556 177.35 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.37 -49.42 64.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.909 0.884 . . . . 0.0 111.548 167.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.21 -37.34 66.47 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -54.51 -57.09 12.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.875 0.87 . . . . 0.0 111.205 171.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -62.59 -37.97 88.31 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.534 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -57.84 10.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.77 1.168 . . . . 0.0 112.655 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.9 -50.06 75.27 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.24 -47.82 83.94 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.281 1.032 . . . . 0.0 112.967 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -62.4 -41.01 98.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.963 0.905 . . . . 0.0 112.663 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.98 -34.96 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.905 0.775 . . . . 0.0 112.863 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -66.64 -49.35 66.52 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.445 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.83 73.95 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.765 1.226 . . . . 0.0 113.553 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.73 50.92 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.986 1.715 . . . . 0.0 114.095 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 12.2 67.63 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.145 1.355 . . . . 0.0 114.453 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -125.64 58.1 20.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.218 1.407 . . . . 0.0 112.919 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -65.17 -19.36 62.78 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.845 2.363 . . . . 0.0 113.2 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.18 -37.25 64.28 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.066 1.346 . . . . 0.0 113.452 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.46 -55.91 20.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.786 0.721 . . . . 0.0 110.74 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.87 77.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.773 0.829 . . . . 0.0 113.1 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.75 -29.58 69.48 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.03 2.17 24.85 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.708 1.603 . . . . 0.0 114.392 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -59.7 -57.16 14.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.499 1.12 . . . . 0.0 112.829 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.11 -20.71 64.07 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -74.97 -6.7 50.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.861 1.264 . . . . 0.0 113.26 169.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m 60.2 24.86 14.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.763 2.025 . . . . 0.0 114.016 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -94.94 11.56 31.4 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.761 1.624 . . . . 0.0 113.745 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.26 -51.69 79.77 Favored Pre-proline 0 CA--C 1.552 1.045 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 171.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.57 80.05 2.39 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 123.213 2.608 . . . . 0.0 112.367 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.18 62.98 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.986 1.714 . . . . 0.0 112.054 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.89 71.37 0.52 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.892 1.677 . . . . 0.0 112.005 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.4 mt -52.79 -42.74 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.331 1.052 . . . . 0.0 111.297 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 125.268 1.427 . . . . 0.0 113.017 177.671 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.9 t -73.61 -32.91 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.489 1.516 . . . . 0.0 112.528 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.76 -62.4 4.66 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.215 1.006 . . . . 0.0 113.142 174.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.87 -34.18 49.9 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.366 2.044 . . . . 0.0 112.882 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.5 tp -54.13 -53.57 51.5 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.388 0.994 . . . . 0.0 111.043 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.62 -47.25 73.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.317 1.047 . . . . 0.0 112.037 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.28 -59.04 6.04 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.156 0.982 . . . . 0.0 113.451 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.89 -42.16 97.55 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.498 1.119 . . . . 0.0 112.512 -172.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.61 -45.73 92.86 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.511 0.596 . . . . 0.0 111.73 172.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.47 -8.54 34.27 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.7 m -86.93 -57.75 2.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.553 1.141 . . . . 0.0 110.779 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.34 -35.6 78.0 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -59.92 -29.23 68.23 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.288 0.949 . . . . 0.0 112.952 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -65.91 -25.57 67.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.658 2.383 . . . . 0.0 113.16 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.4 m -96.76 -34.29 11.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.341 1.457 . . . . 0.0 112.036 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -178.712 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 119.621 -0.228 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -52.99 -58.56 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.457 1.103 . . . . 0.0 111.673 169.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.13 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.004 0.922 . . . . 0.0 112.748 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -58.59 -54.08 51.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.566 1.546 . . . . 0.0 112.186 177.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.21 -31.74 71.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.33 -52.14 14.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.677 0.791 . . . . 0.0 112.965 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 -49.69 76.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.865 1.266 . . . . 0.0 112.02 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.29 -45.56 92.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.271 1.028 . . . . 0.0 112.305 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -63.61 -45.85 88.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.0 mt -56.51 -42.48 78.44 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.148 0.886 . . . . 0.0 112.164 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.5 -54.25 47.74 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.436 1.094 . . . . 0.0 112.016 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.1 70.49 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -12.86 61.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.205 1.402 . . . . 0.0 113.958 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.39 7.07 40.76 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.416 1.484 . . . . 0.0 115.118 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -128.18 62.7 59.47 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.188 1.494 . . . . 0.0 112.997 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.05 -19.21 63.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.238 2.625 . . . . 0.0 113.597 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.29 -39.59 67.07 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.274 1.03 . . . . 0.0 112.92 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -65.31 -51.08 63.03 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.923 0.489 . . . . 0.0 110.848 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 -45.16 72.06 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.232 1.013 . . . . 0.0 113.265 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -61.61 -25.5 67.39 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.42 -0.24 25.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.01 1.324 . . . . 0.0 114.448 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -61.27 -54.29 45.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.64 1.109 . . . . 0.0 112.937 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.73 -24.22 66.2 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -81.94 -2.79 52.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.914 1.286 . . . . 0.0 113.006 171.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t 52.62 49.82 19.54 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.393 2.677 . . . . 0.0 113.908 -176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -122.53 26.79 8.16 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.179 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.44 -54.62 36.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.681 1.192 . . . . 0.0 114.041 166.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -77.75 78.36 3.57 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.122 2.548 . . . . 0.0 112.165 -176.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 pt -127.65 76.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.96 1.704 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 m120 50.46 64.63 1.73 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.58 1.552 . . . . 0.0 112.412 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.4 mt -49.59 -48.44 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.588 1.555 . . . . 0.0 111.469 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.47 0.554 0 C-N-CA 124.714 1.206 . . . . 0.0 113.354 177.375 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.63 -36.38 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.822 1.249 . . . . 0.0 112.652 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.93 -65.07 1.36 Allowed Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.813 1.245 . . . . 0.0 113.415 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -65.43 -34.3 43.97 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.313 2.009 . . . . 0.0 112.95 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.08 -51.81 62.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.258 1.39 . . . . 0.0 111.348 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.4 t -58.41 -53.5 57.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.673 0.789 . . . . 0.0 112.115 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.98 -48.57 81.16 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.8 mmt-85 -64.19 -38.59 91.6 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.12 0.873 . . . . 0.0 112.277 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.35 -49.69 75.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.738 0.699 . . . . 0.0 111.544 170.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -59.17 -28.9 67.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.294 1.038 . . . . 0.0 113.751 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.5 m -62.94 -55.75 23.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.563 1.145 . . . . 0.0 112.217 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.11 -25.81 66.39 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.382 -0.824 . . . . 0.0 113.132 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -56.81 -27.64 60.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -51.62 -41.98 61.68 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.813 1.245 . . . . 0.0 111.985 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.3 t -90.7 -44.81 9.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.489 1.116 . . . . 0.0 112.398 175.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -175.843 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.74 -32.02 63.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.22 0.918 . . . . 0.0 112.699 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.35 69.89 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.657 1.183 . . . . 0.0 113.092 171.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.45 -44.26 91.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.14 -38.49 86.59 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.481 1.112 . . . . 0.0 112.412 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.2 60.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.712 1.142 . . . . 0.0 112.2 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.0 t -56.5 -54.31 47.31 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.258 1.023 . . . . 0.0 112.008 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.78 -44.24 90.62 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -60.67 -43.46 97.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.493 0.717 . . . . 0.0 112.621 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -56.91 -38.54 72.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.124 0.875 . . . . 0.0 112.284 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -66.95 -52.02 47.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.512 0.725 . . . . 0.0 111.928 172.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.62 72.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.94 -5.82 33.8 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.385 1.874 . . . . 0.0 114.368 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 8.77 59.08 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.061 1.315 . . . . 0.0 115.059 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -125.41 60.98 33.6 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 118.872 1.336 . . . . 0.0 112.66 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -66.19 -18.25 55.8 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.259 2.64 . . . . 0.0 114.008 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -51.53 -43.31 62.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.19 1.396 . . . . 0.0 112.63 172.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -67.18 -47.17 71.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.068 0.547 . . . . 0.0 111.433 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.92 75.24 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.939 0.896 . . . . 0.0 112.594 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -60.02 -33.12 71.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.114 0.965 . . . . 0.0 113.524 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.57 -5.75 35.66 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.229 1.412 . . . . 0.0 114.365 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -59.57 -56.0 27.39 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.638 1.108 . . . . 0.0 112.495 173.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.33 -18.72 63.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.935 0.894 . . . . 0.0 113.365 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.44 -1.76 51.12 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.51 1.524 . . . . 0.0 113.543 169.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m 59.28 36.16 23.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.483 1.913 . . . . 0.0 113.556 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -112.63 15.88 19.88 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.62 1.968 . . . . 0.0 113.358 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -51.05 84.63 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 169.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.52 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.044 2.496 . . . . 0.0 112.52 -177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -130.06 61.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.002 1.721 . . . . 0.0 112.121 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 49.02 79.13 0.08 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.858 2.063 . . . . 0.0 113.582 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.0 mt -56.69 -33.35 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.854 1.262 . . . . 0.0 112.114 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.479 0.998 0 O-C-N 120.91 -1.118 . . . . 0.0 112.241 178.537 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.22 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.561 1.144 . . . . 0.0 112.403 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.65 -61.86 7.04 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.454 1.102 . . . . 0.0 112.629 170.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -64.55 -29.94 61.24 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.076 1.851 . . . . 0.0 113.233 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.2 tp -55.02 -51.23 66.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.922 1.237 . . . . 0.0 111.305 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 37.6 t -59.07 -54.73 43.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.267 0.627 . . . . 0.0 111.915 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.43 -55.9 27.83 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.862 1.265 . . . . 0.0 113.203 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -59.54 -40.18 86.36 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.081 0.855 . . . . 0.0 112.835 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.69 -51.27 67.86 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.349 0.66 . . . . 0.0 111.169 171.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.15 -36.04 70.26 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.714 1.606 . . . . 0.0 114.147 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.0 m -55.23 -62.02 1.95 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.697 1.199 . . . . 0.0 111.371 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.61 -19.68 61.42 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -56.11 -38.95 71.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.59 1.156 . . . . 0.0 112.269 171.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -43.87 78.49 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.328 1.451 . . . . 0.0 112.223 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 83.7 m -72.05 -52.07 18.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.21 1.404 . . . . 0.0 111.868 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 125.044 1.337 . . . . 0.0 114.397 -175.006 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 119.8 -0.143 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.81 -54.6 40.13 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.951 1.301 . . . . 0.0 111.829 175.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.17 91.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.278 1.031 . . . . 0.0 112.312 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -59.03 -52.25 66.56 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.164 . . . . 0.0 112.006 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -57.38 -47.86 80.55 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.546 1.539 . . . . 0.0 112.1 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.79 84.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.63 0.772 . . . . 0.0 113.014 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.69 -53.36 59.26 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.618 1.167 . . . . 0.0 111.993 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.77 -39.89 94.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.161 0.985 . . . . 0.0 112.998 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -60.63 -48.27 82.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.609 0.763 . . . . 0.0 111.475 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.55 -37.66 70.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.27 0.941 . . . . 0.0 112.749 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -60.99 -58.98 6.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.637 0.775 . . . . 0.0 112.018 169.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.46 68.59 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.28 -10.78 59.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.162 2.185 . . . . 0.0 114.717 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.77 56.18 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.532 1.063 . . . . 0.0 114.936 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -127.9 58.69 34.59 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.175 1.39 . . . . 0.0 112.911 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.8 -22.28 63.79 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.098 2.532 . . . . 0.0 113.757 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.21 -51.76 68.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.643 0.777 . . . . 0.0 111.207 174.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.82 -38.91 76.43 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.729 0.695 . . . . 0.0 112.505 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.7 89.11 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.094 0.861 . . . . 0.0 112.791 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.6 -28.73 67.43 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.03 -7.33 21.87 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.53 -54.93 36.63 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.313 1.415 . . . . 0.0 111.326 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.84 -23.24 65.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.51 -5.86 58.39 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.794 1.238 . . . . 0.0 113.255 172.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t 56.82 52.97 8.72 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.427 2.291 . . . . 0.0 113.377 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -132.66 22.26 4.28 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.651 1.581 . . . . 0.0 113.748 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.96 -54.03 58.31 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.99 77.7 3.84 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 123.36 2.707 . . . . 0.0 112.389 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 pt -128.14 65.32 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.164 1.786 . . . . 0.0 111.863 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m120 52.71 70.27 0.59 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.309 1.844 . . . . 0.0 112.146 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.06 -39.27 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.09 0.956 . . . . 0.0 111.342 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 125.266 1.426 . . . . 0.0 112.57 176.766 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.7 t -90.73 -21.72 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.995 1.318 . . . . 0.0 112.673 -170.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.23 -62.24 5.61 Favored Pre-proline 0 CA--C 1.549 0.912 0 O-C-N 120.926 -1.109 . . . . 0.0 112.628 166.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.53 -26.61 54.39 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 122.278 1.986 . . . . 0.0 112.978 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.94 -48.82 75.05 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.282 0.947 . . . . 0.0 111.844 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.05 -47.66 80.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.09 0.556 . . . . 0.0 111.865 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.96 -52.76 63.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.653 0.781 . . . . 0.0 111.87 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -65.01 -35.53 81.48 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.94 -33.73 76.72 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.173 0.897 . . . . 0.0 112.918 171.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -69.78 -30.32 67.85 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.87 . . . . 0.0 113.021 171.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -59.91 -54.3 47.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.296 1.039 . . . . 0.0 113.305 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.24 -24.95 64.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.182 0.993 . . . . 0.0 112.593 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.45 -29.61 64.35 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.76 1.224 . . . . 0.0 112.917 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.38 -52.89 19.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.209 1.804 . . . . 0.0 111.731 169.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 49.8 t -74.91 -53.36 9.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.064 1.345 . . . . 0.0 111.433 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -172.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -55.84 -40.28 72.62 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.273 0.629 . . . . 0.0 112.154 171.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.78 91.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -61.82 -54.85 36.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.825 0.85 . . . . 0.0 111.862 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.22 -26.49 68.15 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.41 -58.29 8.17 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.339 0.972 . . . . 0.0 112.469 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m -59.98 -41.53 92.21 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.89 -47.17 84.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.626 0.77 . . . . 0.0 112.877 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.93 -42.0 97.28 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.609 0.764 . . . . 0.0 112.672 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.71 -35.42 66.08 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.856 0.753 . . . . 0.0 112.764 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -66.69 -52.18 47.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.649 0.78 . . . . 0.0 111.666 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.57 72.08 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.656 1.183 . . . . 0.0 113.457 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.97 -9.67 55.93 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.787 1.635 . . . . 0.0 114.666 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.65 7.23 56.89 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.037 1.303 . . . . 0.0 115.104 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -128.61 63.08 63.61 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 118.922 1.361 . . . . 0.0 112.567 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.39 -20.0 69.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.887 2.391 . . . . 0.0 113.172 177.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -58.31 -35.82 72.42 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.01 -45.95 89.97 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.13 1.332 . . . . 0.0 111.664 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.34 -32.5 66.79 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -63.31 -30.42 71.56 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.11 -11.14 60.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.828 1.195 . . . . 0.0 112.998 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -63.23 -49.82 72.64 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.58 1.082 . . . . 0.0 111.566 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.37 -27.41 65.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.869 0.868 . . . . 0.0 112.623 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.17 -5.84 52.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.503 1.521 . . . . 0.0 113.717 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m 59.66 38.65 21.85 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.812 2.045 . . . . 0.0 114.215 -176.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -125.16 31.78 5.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.915 1.686 . . . . 0.0 113.24 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.97 -45.35 86.83 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 163.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -79.05 76.61 4.46 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.023 2.482 . . . . 0.0 112.212 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.8 58.65 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.71 1.604 . . . . 0.0 112.266 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.7 m120 54.23 76.6 0.23 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.311 1.845 . . . . 0.0 112.207 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.58 -43.39 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.452 0.701 . . . . 0.0 111.079 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.478 0.966 0 C-N-CA 124.686 1.194 . . . . 0.0 113.201 -179.551 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.75 -33.43 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.535 1.134 . . . . 0.0 111.781 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.27 -68.25 0.73 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.014 1.326 . . . . 0.0 112.902 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -62.02 -31.89 84.01 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 121.621 1.615 . . . . 0.0 112.543 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.1 tp -54.58 -59.41 4.74 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.175 0.99 . . . . 0.0 111.777 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 p -63.48 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.98 -52.47 65.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.826 1.193 . . . . 0.0 112.317 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -65.71 -34.31 77.9 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.41 -43.65 85.17 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.89 0.768 . . . . 0.0 112.222 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -62.13 -44.19 97.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.149 1.38 . . . . 0.0 114.064 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t -62.2 -35.59 79.32 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.76 1.164 . . . . 0.0 113.014 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.62 -26.35 57.7 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.01 -37.1 78.71 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.701 1.137 . . . . 0.0 112.545 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -55.88 -53.68 53.82 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.295 1.038 . . . . 0.0 111.384 171.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.4 m -60.04 -48.41 81.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.658 1.183 . . . . 0.0 112.369 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -177.804 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 mmt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -66.11 131.25 45.74 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.56 1.073 . . . . 0.0 112.547 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -151.26 167.45 27.82 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.341 1.856 . . . . 0.0 111.412 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -101.47 -51.72 3.4 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.571 1.148 . . . . 0.0 111.78 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -149.72 166.7 28.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.719 1.608 . . . . 0.0 111.73 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -80.82 -74.14 0.33 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.157 0.983 . . . . 0.0 110.813 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -144.46 166.5 24.95 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.451 1.9 . . . . 0.0 111.355 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -107.81 73.14 0.89 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.443 1.497 . . . . 0.0 110.92 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -155.07 176.01 13.09 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 111.826 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.93 84.14 0.05 OUTLIER Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.52 1.057 . . . . 0.0 114.294 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -139.97 69.03 1.35 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.098 1.359 . . . . 0.0 111.587 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -154.12 81.7 4.57 Favored Pre-proline 0 N--CA 1.481 1.103 0 C-N-CA 124.649 1.18 . . . . 0.0 112.064 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.18 137.35 26.01 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.727 2.285 . . . . 0.0 111.498 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -141.11 171.02 14.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.422 1.889 . . . . 0.0 111.548 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.55 -9.8 59.22 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.111 1.338 . . . . 0.0 115.441 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -71.54 38.1 0.06 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.66 2.384 . . . . 0.0 113.948 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -27.52 65.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -172.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.38 -21.66 61.25 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.101 -1.0 . . . . 0.0 113.471 173.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.68 -38.28 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.675 1.59 . . . . 0.0 109.863 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.01 -32.88 64.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.413 -0.804 . . . . 0.0 112.455 169.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.62 83.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.526 1.13 . . . . 0.0 113.814 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -63.5 -51.5 65.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.663 1.185 . . . . 0.0 111.02 174.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.3 -32.26 72.97 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.341 1.056 . . . . 0.0 113.048 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -58.56 8.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.545 1.138 . . . . 0.0 112.773 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.84 -52.33 64.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.414 0.686 . . . . 0.0 111.781 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -39.79 95.26 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -62.16 -44.05 97.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.492 0.717 . . . . 0.0 112.168 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -45.75 73.89 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.41 1.005 . . . . 0.0 111.581 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -62.5 -52.53 63.1 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.543 0.737 . . . . 0.0 111.893 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.32 -44.87 80.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.857 1.263 . . . . 0.0 113.237 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.66 -7.35 14.82 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.98 1.712 . . . . 0.0 114.678 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.45 10.93 43.09 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.103 1.335 . . . . 0.0 114.948 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -126.51 58.87 29.27 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 112.53 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.32 -20.54 48.7 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.122 2.548 . . . . 0.0 113.92 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -53.89 -48.55 69.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.351 1.06 . . . . 0.0 111.492 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -59.02 -49.89 76.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.678 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.58 -50.49 67.87 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 113.248 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -59.93 -31.4 69.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.031 0.932 . . . . 0.0 112.961 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -69.51 -4.4 18.72 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.64 -61.46 2.57 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.149 1.341 . . . . 0.0 112.452 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -70.9 -16.78 62.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.38 -0.07 35.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.777 1.231 . . . . 0.0 113.49 167.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.5 m 60.86 37.16 18.7 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.703 2.001 . . . . 0.0 113.79 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -121.38 15.54 11.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.25 1.82 . . . . 0.0 113.476 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -53.47 66.08 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 169.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.61 80.79 2.69 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.089 2.526 . . . . 0.0 112.077 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.0 pt -126.62 57.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.022 1.729 . . . . 0.0 111.311 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 53.64 69.45 0.71 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.846 2.058 . . . . 0.0 112.968 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.94 -51.27 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.845 1.658 . . . . 0.0 111.467 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 p -60.24 -32.03 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.545 1.138 . . . . 0.0 113.543 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.86 -56.37 5.05 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.04 0.836 . . . . 0.0 111.365 174.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.8 m -62.8 -34.61 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -71.97 -21.04 61.64 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -93.37 4.77 53.43 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.829 1.652 . . . . 0.0 113.791 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -67.95 9.93 0.25 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.316 1.446 . . . . 0.0 114.667 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 54.88 40.46 31.99 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.944 2.098 . . . . 0.0 112.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.82 -34.87 79.16 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.061 1.344 . . . . 0.0 113.759 -172.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -130.82 159.46 37.27 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.176 2.19 . . . . 0.0 110.522 171.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -71.13 -41.79 70.04 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.292 1.037 . . . . 0.0 112.301 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.41 124.01 26.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.936 1.294 . . . . 0.0 112.869 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -82.68 -14.27 54.95 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.029 0.932 . . . . 0.0 113.362 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.49 -31.16 71.86 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.126 -0.984 . . . . 0.0 112.838 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.99 -22.68 64.08 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.193 1.797 . . . . 0.0 112.762 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.87 -28.58 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.803 1.241 . . . . 0.0 112.419 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.45 -59.13 14.84 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.835 -1.079 . . . . 0.0 113.59 173.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.58 -33.19 46.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.783 1.655 . . . . 0.0 112.73 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.87 -32.19 69.26 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.458 1.026 . . . . 0.0 112.385 170.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.4 -53.91 7.09 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.166 -0.958 . . . . 0.0 112.057 170.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -60.84 -46.96 88.53 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.322 1.449 . . . . 0.0 114.043 -174.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -67.11 -32.32 73.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.657 0.783 . . . . 0.0 112.626 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.21 -50.73 62.82 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.561 0.744 . . . . 0.0 110.95 168.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -57.78 -44.88 86.54 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 t -61.27 -35.81 78.31 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.353 0.979 . . . . 0.0 113.085 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.0 mt -81.95 -25.12 35.12 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -55.28 -43.27 74.58 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.947 1.299 . . . . 0.0 112.169 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -52.79 -47.07 67.84 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.144 1.777 . . . . 0.0 112.593 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.2 m -75.62 -35.6 60.46 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.067 1.347 . . . . 0.0 113.038 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.58 88.2 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.031 1.332 . . . . 0.0 113.02 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.9 p 46.41 23.2 0.2 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.364 2.666 . . . . 0.0 116.771 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -70.83 116.0 10.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.275 1.43 . . . . 0.0 111.78 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.303 0 C-N-CA 128.834 2.854 . . . . 0.0 113.596 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptp . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.195 0.045 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -141.93 158.4 43.82 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.591 1.156 . . . . 0.0 111.573 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -126.01 70.46 1.22 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.904 1.681 . . . . 0.0 110.545 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.46 -37.04 77.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.532 0.733 . . . . 0.0 112.366 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -151.85 165.31 34.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.486 1.914 . . . . 0.0 110.2 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -136.2 84.05 2.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.539 1.136 . . . . 0.0 110.887 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -65.25 143.51 57.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.598 0.759 . . . . 0.0 111.664 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.0 p -145.49 162.59 37.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.691 1.596 . . . . 0.0 111.568 173.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -153.8 171.25 19.21 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.177 1.791 . . . . 0.0 111.414 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.55 -148.73 5.06 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.801 1.667 . . . . 0.0 112.19 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp 68.81 9.98 7.66 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.979 2.112 . . . . 0.0 114.826 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -139.47 86.43 14.23 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 125.861 1.664 . . . . 0.0 112.041 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.92 98.22 1.17 Allowed 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.744 2.963 . . . . 0.0 112.402 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -75.71 -27.57 58.26 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.659 1.183 . . . . 0.0 114.001 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.43 -169.51 34.43 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.825 1.202 . . . . 0.0 113.414 -173.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -67.6 1.89 2.15 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -50.44 -45.02 55.66 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.413 1.885 . . . . 0.0 113.623 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -66.84 -39.75 87.71 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.663 0.785 . . . . 0.0 112.864 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mp -65.89 -50.34 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.495 1.118 . . . . 0.0 109.604 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -54.6 -47.58 73.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.3 1.44 . . . . 0.0 112.524 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.17 81.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.999 1.32 . . . . 0.0 113.065 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.23 78.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.397 1.079 . . . . 0.0 111.064 177.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -61.44 -37.86 85.08 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.48 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.488 1.04 . . . . 0.0 112.299 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.2 t -60.33 -52.72 64.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.061 0.944 . . . . 0.0 112.289 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.94 -40.66 87.61 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.126 0.971 . . . . 0.0 113.166 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -61.51 -42.77 99.3 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.429 -0.794 . . . . 0.0 112.155 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.17 -29.31 63.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.796 0.838 . . . . 0.0 113.146 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -64.56 -59.0 4.8 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.875 0.87 . . . . 0.0 110.919 171.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.22 -29.73 70.0 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.231 1.412 . . . . 0.0 113.614 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.87 63.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.055 1.742 . . . . 0.0 114.617 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.96 11.86 64.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.468 1.032 . . . . 0.0 114.542 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -128.37 61.71 55.26 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 118.738 1.269 . . . . 0.0 112.281 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.68 -16.67 42.41 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.421 2.747 . . . . 0.0 113.923 -176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.016 1.326 . . . . 0.0 111.858 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -55.36 -48.94 73.49 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.875 -0.516 . . . . 0.0 111.583 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.57 96.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.005 0.922 . . . . 0.0 113.359 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -58.06 -32.07 67.67 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.384 -0.822 . . . . 0.0 113.164 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 mp -75.34 -1.82 25.51 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.654 1.582 . . . . 0.0 114.368 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.57 -58.96 6.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.888 1.222 . . . . 0.0 112.958 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.95 -22.25 66.97 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.23 -3.67 50.09 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.858 1.263 . . . . 0.0 113.315 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t 58.35 31.22 20.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.316 2.246 . . . . 0.0 113.699 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.7 16.23 22.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.219 1.807 . . . . 0.0 113.277 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.67 -56.7 33.11 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 120.762 -1.211 . . . . 0.0 113.716 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.72 84.02 1.49 Allowed 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.076 2.517 . . . . 0.0 112.662 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 pt -130.61 66.9 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.517 1.527 . . . . 0.0 112.024 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 49.53 60.62 3.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.285 1.434 . . . . 0.0 112.193 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.02 -36.73 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.839 1.256 . . . . 0.0 111.199 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.02 -34.94 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 112.75 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.98 -53.37 15.11 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.265 -0.897 . . . . 0.0 112.179 173.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.4 m -61.91 -30.72 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.067 0.848 . . . . 0.0 113.037 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -69.31 -53.86 17.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.436 0.694 . . . . 0.0 112.493 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -71.63 -10.11 59.27 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.41 -29.81 70.17 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.275 1.43 . . . . 0.0 113.546 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.9 m170 45.8 36.32 2.74 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 127.054 2.142 . . . . 0.0 114.508 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.5 -42.64 78.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.817 1.247 . . . . 0.0 113.442 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.68 159.76 31.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.545 1.138 . . . . 0.0 112.716 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.23 -55.41 25.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.236 1.414 . . . . 0.0 112.844 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -83.63 90.78 7.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.034 1.334 . . . . 0.0 113.245 -171.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -58.89 -22.98 60.51 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -67.37 -16.7 64.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.35 -19.89 60.29 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.718 1.207 . . . . 0.0 113.242 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.84 -33.19 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.747 1.219 . . . . 0.0 112.398 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -55.57 -63.12 3.44 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.767 1.227 . . . . 0.0 112.413 171.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.29 -28.04 40.23 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.693 2.262 . . . . 0.0 113.634 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.6 tp -53.52 -58.44 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.163 1.347 . . . . 0.0 110.786 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.91 -47.26 85.61 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.996 0.518 . . . . 0.0 112.043 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -56.4 -59.05 5.53 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -61.02 -39.31 89.28 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.129 0.877 . . . . 0.0 112.89 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -58.46 -54.86 42.27 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -56.03 -40.51 73.55 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.495 1.118 . . . . 0.0 113.893 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.3 m -54.26 -54.79 35.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.776 1.231 . . . . 0.0 112.198 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.15 -25.67 61.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.92 -31.42 68.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -42.83 63.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.935 1.294 . . . . 0.0 112.395 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -84.23 -37.95 21.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.177 0.991 . . . . 0.0 112.789 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.08 -33.0 74.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.3 m -65.72 -33.24 75.42 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.4 ttt -72.21 123.01 22.04 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.398 1.479 . . . . 0.0 110.709 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? . . . . . 0 C--O 1.251 1.177 0 C-N-CA 124.952 1.301 . . . . 0.0 112.034 -179.455 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -99.12 143.57 29.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.45 1.1 . . . . 0.0 112.68 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -158.93 162.3 36.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.478 1.911 . . . . 0.0 111.419 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -136.75 72.88 1.43 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.502 1.521 . . . . 0.0 110.832 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -138.81 158.3 44.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.709 1.604 . . . . 0.0 111.729 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -71.56 116.29 11.73 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.916 1.286 . . . . 0.0 111.494 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -109.82 -17.64 13.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.903 1.281 . . . . 0.0 113.816 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.2 p -124.91 157.82 35.06 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.621 1.968 . . . . 0.0 111.107 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.7 p -156.06 170.66 21.67 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.424 1.49 . . . . 0.0 111.596 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.34 177.14 48.35 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.247 0.927 . . . . 0.0 113.61 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.43 16.63 2.95 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.91 1.684 . . . . 0.0 113.93 -174.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.15 84.1 37.31 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 125.542 1.537 . . . . 0.0 111.789 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.1 -12.94 28.45 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 122.978 2.452 . . . . 0.0 113.94 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -55.38 -41.27 72.41 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.23 1.412 . . . . 0.0 113.233 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.17 -27.1 9.59 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.802 1.191 . . . . 0.0 114.606 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.0 m -74.67 26.89 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.384 2.273 . . . . 0.0 115.346 -172.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.53 -24.6 65.49 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -168.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -24.85 55.23 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.781 -1.199 . . . . 0.0 113.393 173.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.81 -29.16 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.928 0.891 . . . . 0.0 111.159 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.37 -45.2 84.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 171.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.12 87.73 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.967 0.907 . . . . 0.0 112.109 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.57 -51.7 68.8 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.472 1.109 . . . . 0.0 112.004 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.78 -47.97 78.94 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.24 -48.48 80.27 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.728 0.695 . . . . 0.0 112.167 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -58.27 -53.0 63.22 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.406 1.082 . . . . 0.0 111.99 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.76 -45.07 95.47 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.737 1.215 . . . . 0.0 113.118 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -62.24 -45.11 94.77 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.107 0.963 . . . . 0.0 112.294 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.61 -42.11 78.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.886 0.766 . . . . 0.0 111.81 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -62.99 -53.36 55.2 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.066 0.946 . . . . 0.0 112.391 169.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.51 68.95 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.7 -7.41 44.44 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.387 1.875 . . . . 0.0 114.36 174.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.91 58.15 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.295 1.426 . . . . 0.0 114.708 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -126.98 60.97 44.6 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 118.859 1.33 . . . . 0.0 112.821 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.77 -14.93 47.03 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.397 2.731 . . . . 0.0 113.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -51.07 -41.29 59.83 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.394 1.078 . . . . 0.0 112.755 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -68.35 -51.65 42.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.393 0.677 . . . . 0.0 111.025 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.97 63.86 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.658 1.183 . . . . 0.0 113.123 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -65.08 -20.93 66.72 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -84.13 -0.55 52.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.075 1.35 . . . . 0.0 114.179 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.63 -52.34 65.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.255 0.934 . . . . 0.0 112.182 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.52 -18.5 64.39 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.93 -2.61 58.71 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.011 1.324 . . . . 0.0 113.117 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.5 m 62.17 21.91 12.77 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 127.801 2.44 . . . . 0.0 115.208 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -90.21 13.73 14.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.47 -53.28 67.73 Favored Pre-proline 0 CA--C 1.552 1.043 0 O-C-N 120.479 -1.388 . . . . 0.0 114.594 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -76.35 80.02 2.83 Favored 'Trans proline' 0 CA--C 1.547 1.158 0 C-N-CA 123.615 2.877 . . . . 0.0 112.384 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 pt -129.99 55.61 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.858 1.663 . . . . 0.0 112.267 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 54.7 76.95 0.22 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.121 1.768 . . . . 0.0 112.068 -172.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -54.19 -39.09 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.927 0.891 . . . . 0.0 111.134 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.9 t -58.02 -44.03 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.464 1.106 . . . . 0.0 112.193 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.57 77.55 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.206 -0.934 . . . . 0.0 112.292 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.38 -33.28 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -75.92 -27.96 57.82 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.295 0.952 . . . . 0.0 113.489 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -65.85 -17.43 64.64 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.598 1.159 . . . . 0.0 113.815 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -74.74 44.09 0.21 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.229 2.212 . . . . 0.0 113.131 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -65.67 -6.97 12.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.426 2.691 . . . . 0.0 115.703 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -89.98 -10.88 43.37 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.619 1.168 . . . . 0.0 113.393 170.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -86.54 -31.14 21.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.11 1.364 . . . . 0.0 113.336 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.42 168.25 22.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.703 2.001 . . . . 0.0 112.188 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.98 131.44 49.67 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -174.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -29.93 46.52 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.323 1.449 . . . . 0.0 114.303 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.75 -23.37 52.98 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.702 1.201 . . . . 0.0 113.411 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.1 mt -83.7 -22.59 31.99 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.299 1.04 . . . . 0.0 112.801 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.1 -40.33 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.307 1.043 . . . . 0.0 112.145 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -56.64 -64.39 2.51 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 124.614 1.166 . . . . 0.0 113.269 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.32 -32.54 41.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.264 1.976 . . . . 0.0 113.175 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.3 tp -53.53 -56.45 16.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.939 1.245 . . . . 0.0 110.757 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -54.65 -51.18 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.775 0.83 . . . . 0.0 111.841 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -58.54 -49.76 76.25 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.217 1.007 . . . . 0.0 113.36 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -65.92 -42.85 89.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.729 0.812 . . . . 0.0 112.465 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.69 -51.98 66.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.767 0.712 . . . . 0.0 111.454 171.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -65.34 -8.98 20.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.143 1.777 . . . . 0.0 114.347 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.3 m -87.86 -59.22 2.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.588 1.155 . . . . 0.0 110.547 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.77 -31.66 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -59.91 -30.91 69.35 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.337 0.972 . . . . 0.0 112.794 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.78 -44.09 81.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.509 1.923 . . . . 0.0 111.77 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.42 -46.76 46.65 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.623 1.169 . . . . 0.0 111.735 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.13 -32.94 68.62 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.4 m -66.76 -21.94 66.05 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.9 ttp -83.69 97.43 9.11 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.434 1.094 . . . . 0.0 110.375 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.262 1.825 . . . . 0.0 113.146 -176.604 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtp . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -89.47 -21.52 22.94 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.323 -1.486 . . . . 0.0 114.487 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -126.19 165.79 18.26 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.884 1.674 . . . . 0.0 110.698 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -129.55 160.18 34.02 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.157 1.383 . . . . 0.0 111.256 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -126.05 121.54 33.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.668 1.587 . . . . 0.0 110.001 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -62.03 142.42 57.53 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.009 0.524 . . . . 0.0 111.985 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -145.55 138.01 25.77 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.344 1.458 . . . . 0.0 110.872 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.5 t -160.98 139.19 9.69 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.009 1.323 . . . . 0.0 110.921 172.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t -88.81 118.26 28.38 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.556 1.142 . . . . 0.0 111.002 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.34 39.57 30.75 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.193 0.901 . . . . 0.0 115.128 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tt -134.0 83.2 2.02 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.544 1.538 . . . . 0.0 110.557 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 p -168.58 84.07 0.71 Allowed Pre-proline 0 N--CA 1.482 1.142 0 C-N-CA 126.643 1.977 . . . . 0.0 111.419 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.75 -34.67 5.2 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.208 1.939 . . . . 0.0 112.961 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -153.17 148.36 26.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.082 2.153 . . . . 0.0 109.649 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.7 56.0 1.94 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.229 0.919 . . . . 0.0 113.587 174.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -68.34 24.08 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 128.147 2.579 . . . . 0.0 115.401 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -59.14 -35.37 73.38 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.317 1.447 . . . . 0.0 113.774 -170.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -70.62 -42.95 70.25 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.376 -0.827 . . . . 0.0 111.375 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.5 mt -65.08 -33.23 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.928 1.291 . . . . 0.0 111.427 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.48 -43.62 65.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.635 1.107 . . . . 0.0 112.362 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.44 -43.85 65.92 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.04 -49.13 77.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.782 0.833 . . . . 0.0 111.813 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -56.26 -52.17 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.613 1.565 . . . . 0.0 111.629 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.32 68.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -70.55 -52.09 24.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 112.703 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.09 -40.89 97.4 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.662 1.185 . . . . 0.0 113.056 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -58.03 -43.53 86.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.135 1.374 . . . . 0.0 112.191 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.89 -44.61 86.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.653 0.781 . . . . 0.0 112.411 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -61.62 -50.17 73.65 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.348 1.059 . . . . 0.0 111.887 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.68 72.03 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.58 62.81 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.103 1.761 . . . . 0.0 114.392 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.0 2.72 28.32 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.998 1.285 . . . . 0.0 115.47 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -123.78 63.72 29.72 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 119.097 1.449 . . . . 0.0 112.273 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.12 -16.55 52.51 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.54 2.826 . . . . 0.0 113.733 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -50.74 -42.82 57.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.867 1.267 . . . . 0.0 112.53 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.99 -45.36 61.27 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.477 0.58 . . . . 0.0 111.616 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.02 70.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.993 0.917 . . . . 0.0 112.435 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -61.89 -19.05 62.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -84.75 -1.46 56.31 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.537 1.135 . . . . 0.0 113.852 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.27 -60.38 3.83 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.447 1.022 . . . . 0.0 112.379 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.82 -25.46 66.45 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.713 0.805 . . . . 0.0 112.908 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.03 -6.42 49.31 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.642 1.577 . . . . 0.0 113.755 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 t 61.9 40.2 12.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -125.74 25.87 6.8 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.786 1.634 . . . . 0.0 112.934 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -52.4 73.42 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.518 1.127 . . . . 0.0 113.975 167.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.57 84.41 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.882 2.388 . . . . 0.0 111.928 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 pt -132.51 79.79 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.617 1.567 . . . . 0.0 111.165 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m120 51.2 64.12 1.97 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.474 1.51 . . . . 0.0 112.304 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.83 -27.78 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.087 -1.008 . . . . 0.0 111.917 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t -67.39 -36.31 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 120.684 -1.26 . . . . 0.0 112.433 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.66 -45.55 74.95 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.921 0.888 . . . . 0.0 112.327 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.1 m -61.24 -21.73 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -66.55 -24.93 66.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.1 1.36 . . . . 0.0 113.387 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -95.29 5.06 52.73 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.819 1.647 . . . . 0.0 113.658 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -72.61 79.0 1.08 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.537 1.135 . . . . 0.0 111.113 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.3 m80 34.15 79.52 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.866 2.867 . . . . 0.0 114.323 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -66.34 84.41 0.1 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.574 1.55 . . . . 0.0 113.42 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -82.53 -0.35 46.22 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.24 1.816 . . . . 0.0 114.517 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 178.89 4.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.26 2.224 . . . . 0.0 111.375 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -58.08 143.5 43.41 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.395 1.078 . . . . 0.0 112.174 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -60.94 -20.88 62.85 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.0 -20.23 62.23 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.723 1.209 . . . . 0.0 113.688 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 tp -71.01 -26.91 63.33 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.397 1.079 . . . . 0.0 112.902 170.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.58 -29.03 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.153 0.981 . . . . 0.0 112.31 -176.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 -64.24 1.79 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.454 1.102 . . . . 0.0 112.498 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -65.36 -31.06 53.08 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 122.753 2.302 . . . . 0.0 113.516 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.3 -24.8 66.68 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.656 1.116 . . . . 0.0 113.281 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -87.38 -53.62 4.73 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.009 -1.057 . . . . 0.0 111.428 166.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -59.81 -57.15 14.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.288 1.835 . . . . 0.0 113.286 -171.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -61.25 -37.18 82.17 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.155 1.382 . . . . 0.0 112.976 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.65 -51.36 68.8 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.956 1.302 . . . . 0.0 110.04 173.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -64.47 -27.95 69.33 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -58.77 -55.16 38.71 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.006 -1.059 . . . . 0.0 111.229 170.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.16 -29.89 68.88 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -52.84 -36.88 59.43 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.321 0.964 . . . . 0.0 113.153 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -57.21 -41.23 79.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.0 1.32 . . . . 0.0 112.276 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.11 -23.51 21.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.356 1.462 . . . . 0.0 113.609 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.15 -19.07 65.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.752 1.221 . . . . 0.0 113.886 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.4 p 45.2 41.95 6.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.371 2.268 . . . . 0.0 114.985 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.2 mmt -124.3 157.29 35.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.737 2.015 . . . . 0.0 111.847 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.314 1.846 . . . . 0.0 112.926 -176.637 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.659 0.266 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -119.66 164.36 16.0 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.467 1.507 . . . . 0.0 111.137 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -126.2 158.72 34.89 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.667 1.587 . . . . 0.0 110.447 172.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -124.94 126.55 45.68 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.945 1.298 . . . . 0.0 110.336 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -71.88 166.59 21.79 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 121.53 0.681 . . . . 0.0 111.393 172.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -142.56 162.78 34.57 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.042 1.337 . . . . 0.0 111.071 171.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -72.35 161.2 31.16 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.634 0.774 . . . . 0.0 112.156 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.7 m -76.48 76.66 3.2 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.818 1.247 . . . . 0.0 111.755 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -67.38 162.78 22.22 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.733 1.613 . . . . 0.0 113.089 174.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.61 153.97 23.68 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.242 0.925 . . . . 0.0 112.172 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.95 42.47 0.95 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.003 0.921 . . . . 0.0 112.635 -173.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 p -132.79 88.02 39.09 Favored Pre-proline 0 N--CA 1.479 0.982 0 C-N-CA 125.887 1.675 . . . . 0.0 111.534 -175.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -73.39 157.29 49.7 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.824 2.35 . . . . 0.0 111.995 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -77.09 167.75 21.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.773 1.229 . . . . 0.0 112.415 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.48 -171.58 49.27 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.736 1.16 . . . . 0.0 113.84 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.1 m -65.93 -0.75 2.47 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.006 1.723 . . . . 0.0 115.163 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -54.67 -34.14 61.8 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.147 1.379 . . . . 0.0 113.893 -174.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.1 -20.51 60.93 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.1 mt -73.38 -37.42 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.663 1.185 . . . . 0.0 110.791 -177.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.51 -52.29 65.29 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.434 0.693 . . . . 0.0 111.125 171.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.35 86.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.163 0.985 . . . . 0.0 112.679 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -55.24 36.47 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.934 1.293 . . . . 0.0 111.805 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.88 -43.4 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.174 0.989 . . . . 0.0 111.975 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.31 43.03 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -68.71 -24.02 64.43 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.48 -39.07 39.39 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.134 1.373 . . . . 0.0 112.374 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -65.83 -46.76 77.36 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.231 -0.918 . . . . 0.0 112.433 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.23 -45.44 79.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.999 0.919 . . . . 0.0 112.946 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -66.8 -39.72 87.83 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 174.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.92 77.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.301 1.04 . . . . 0.0 112.927 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.36 86.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.117 1.767 . . . . 0.0 111.954 175.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 135.42 8.59 1.73 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.747 1.165 . . . . 0.0 115.018 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -124.89 64.27 42.42 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.952 1.301 . . . . 0.0 111.671 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.89 -21.14 64.46 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.294 2.663 . . . . 0.0 113.184 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -51.95 -44.2 63.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.772 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -62.88 -49.62 74.12 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.666 0.666 . . . . 0.0 111.366 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.06 -44.54 74.85 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.698 0.799 . . . . 0.0 112.886 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -62.11 -28.61 69.75 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.77 -3.56 26.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.516 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.15 -49.36 72.42 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.151 1.341 . . . . 0.0 112.936 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.54 -28.57 68.65 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.599 -0.688 . . . . 0.0 112.768 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.85 -6.64 56.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.524 1.53 . . . . 0.0 113.564 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t 52.09 55.97 8.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.178 2.191 . . . . 0.0 113.353 -172.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -121.67 15.47 11.06 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.726 1.611 . . . . 0.0 113.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.95 -52.81 70.94 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.52 78.01 3.44 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.124 2.55 . . . . 0.0 112.149 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 pt -126.09 73.69 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.024 1.73 . . . . 0.0 111.593 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 51.24 65.64 1.42 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.819 1.648 . . . . 0.0 112.572 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.2 mt -50.61 -46.74 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.609 1.164 . . . . 0.0 111.75 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.74 -32.6 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.482 1.113 . . . . 0.0 113.563 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.8 -53.01 11.23 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.221 -0.925 . . . . 0.0 111.471 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.98 -32.24 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -71.56 -17.17 62.32 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 173.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -92.5 6.15 48.2 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.562 1.545 . . . . 0.0 113.514 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -72.67 57.6 0.42 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.923 1.289 . . . . 0.0 113.001 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -64.25 -8.15 11.69 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.134 2.173 . . . . 0.0 113.39 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.54 -22.87 64.1 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 120.617 -1.302 . . . . 0.0 112.965 166.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -101.92 156.78 17.31 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.494 1.517 . . . . 0.0 112.081 168.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tp -79.11 -168.18 1.39 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.674 1.59 . . . . 0.0 112.103 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 59.22 24.71 13.18 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.359 1.863 . . . . 0.0 114.675 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -56.37 -24.72 46.29 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.55 -35.6 72.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.015 1.326 . . . . 0.0 112.608 172.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp -79.92 -17.9 51.87 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.904 1.682 . . . . 0.0 112.687 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.06 -19.09 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 125.054 1.341 . . . . 0.0 112.509 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -61.67 -60.38 10.53 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.718 -1.239 . . . . 0.0 113.55 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.73 -26.4 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.151 1.901 . . . . 0.0 113.299 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.68 -45.12 81.91 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.626 1.17 . . . . 0.0 112.841 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.5 p -63.57 -33.0 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.829 1.195 . . . . 0.0 113.271 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -61.67 -55.28 32.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.613 0.765 . . . . 0.0 110.582 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -58.15 -37.74 75.23 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.896 0.878 . . . . 0.0 113.248 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.68 -51.42 69.85 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.387 0.675 . . . . 0.0 111.65 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.87 -25.42 68.28 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -59.78 -55.58 32.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.136 -0.978 . . . . 0.0 112.077 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.42 -23.8 63.75 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -54.64 -31.05 56.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.305 0.957 . . . . 0.0 113.007 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -50.76 -52.82 37.08 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.701 1.2 . . . . 0.0 111.817 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.36 -36.04 22.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.384 1.074 . . . . 0.0 112.932 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.52 -26.48 64.55 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.2 t -66.04 -38.24 87.89 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.015 0.926 . . . . 0.0 112.424 173.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.2 ttt -72.26 147.21 46.66 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.756 1.222 . . . . 0.0 111.431 172.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 124.542 1.137 . . . . 0.0 113.79 176.774 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.065 0.459 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -146.03 162.15 38.53 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.438 1.895 . . . . 0.0 111.201 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -140.17 156.07 46.68 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.147 1.779 . . . . 0.0 111.492 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -142.81 145.08 32.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.543 1.537 . . . . 0.0 111.233 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -144.38 150.24 37.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.409 1.483 . . . . 0.0 111.909 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -144.78 162.24 37.25 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.552 1.941 . . . . 0.0 111.582 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -152.46 163.03 40.35 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.967 1.707 . . . . 0.0 111.865 174.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.5 m -144.95 97.18 2.98 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.736 1.614 . . . . 0.0 111.343 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 t -70.87 -61.91 1.59 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.564 1.146 . . . . 0.0 112.222 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.07 169.61 12.48 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 126.5 2.0 . . . . 0.0 113.433 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.38 105.78 3.06 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.265 1.426 . . . . 0.0 110.124 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t 48.2 79.95 0.32 Allowed Pre-proline 0 N--CA 1.486 1.326 0 C-N-CA 127.094 2.158 . . . . 0.0 112.364 -176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.51 -12.55 20.54 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.104 2.536 . . . . 0.0 114.345 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -82.73 166.18 19.31 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.88 1.272 . . . . 0.0 111.947 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.97 -79.56 0.78 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.387 1.47 . . . . 0.0 113.395 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 p -75.2 50.55 0.5 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.075 2.15 . . . . 0.0 114.067 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -55.59 -27.96 52.36 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.046 1.738 . . . . 0.0 115.568 -171.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.23 -35.41 59.02 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.048 -1.033 . . . . 0.0 113.05 175.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.57 -33.79 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.675 1.19 . . . . 0.0 110.363 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.6 -30.18 29.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.401 1.08 . . . . 0.0 113.105 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.95 85.93 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.497 1.044 . . . . 0.0 113.382 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -66.69 -50.69 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.14 0.976 . . . . 0.0 110.594 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -58.65 -40.58 83.87 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.963 0.905 . . . . 0.0 112.538 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.37 47.93 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.546 1.138 . . . . 0.0 112.487 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.64 -50.46 68.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.084 0.953 . . . . 0.0 111.683 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.0 -33.94 72.67 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -70.55 -44.31 67.71 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.026 -1.046 . . . . 0.0 112.407 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.67 -46.24 81.24 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.194 0.906 . . . . 0.0 112.194 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -44.56 94.35 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.115 0.966 . . . . 0.0 113.274 171.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.32 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.78 -9.45 57.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.5 6.53 41.18 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.264 1.411 . . . . 0.0 115.099 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -124.88 66.15 48.44 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.042 1.421 . . . . 0.0 112.357 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.15 -22.02 47.73 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.358 2.705 . . . . 0.0 113.436 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -56.04 -45.24 79.25 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.492 1.117 . . . . 0.0 111.812 175.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -57.83 -52.8 63.96 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.457 0.571 . . . . 0.0 111.322 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.9 70.18 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.008 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -60.48 -35.34 75.67 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.56 -0.39 8.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.71 -53.35 58.47 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.618 1.099 . . . . 0.0 112.377 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.16 -21.72 63.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.517 0.727 . . . . 0.0 112.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -78.2 -5.68 52.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 113.435 169.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 m 61.68 29.43 18.12 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.003 2.121 . . . . 0.0 114.75 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -103.76 21.67 15.83 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.756 1.222 . . . . 0.0 113.856 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -54.04 33.3 Favored Pre-proline 0 CA--C 1.551 1.006 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 169.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -76.11 78.84 3.08 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.184 2.589 . . . . 0.0 112.196 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -131.68 48.16 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.021 1.728 . . . . 0.0 112.444 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 58.0 84.81 0.1 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.382 1.873 . . . . 0.0 112.559 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.29 -34.79 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.038 0.935 . . . . 0.0 111.694 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.48 -30.15 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.808 1.243 . . . . 0.0 112.342 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.75 -56.86 4.35 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.482 -0.761 . . . . 0.0 111.756 170.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 m -60.45 -34.89 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -171.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -69.8 -15.6 63.14 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -117.86 10.6 13.25 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.021 2.128 . . . . 0.0 113.494 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -70.06 72.37 0.42 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.901 1.28 . . . . 0.0 112.553 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 41.28 46.79 2.84 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 128.747 2.819 . . . . 0.0 114.41 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.07 -173.67 4.7 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.536 1.534 . . . . 0.0 112.662 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -61.32 150.99 33.3 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.179 1.392 . . . . 0.0 112.052 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.47 -28.04 68.93 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -70.5 98.07 1.4 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.321 1.448 . . . . 0.0 112.684 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.84 -4.49 3.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.272 1.429 . . . . 0.0 113.919 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.81 -31.45 71.68 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.785 1.234 . . . . 0.0 113.508 172.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.33 -27.02 52.66 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.658 0.783 . . . . 0.0 112.647 172.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.65 -35.54 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 112.061 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.08 -62.55 2.7 Favored Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.0 -40.2 28.55 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.595 2.197 . . . . 0.0 112.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 tt -54.86 -48.98 72.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.278 1.031 . . . . 0.0 111.783 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.65 3.56 2.4 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.871 1.668 . . . . 0.0 114.335 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -47.92 3.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.34 1.456 . . . . 0.0 111.287 168.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -60.39 -39.42 87.25 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.292 1.037 . . . . 0.0 112.707 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.79 -46.41 68.78 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.774 -0.579 . . . . 0.0 112.108 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -70.95 -2.31 14.8 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -103.31 -40.8 6.25 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.802 -1.187 . . . . 0.0 112.606 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.45 -37.59 65.76 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.135 -0.978 . . . . 0.0 113.112 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -58.23 -36.46 73.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.409 1.004 . . . . 0.0 113.278 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -62.39 -43.91 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.889 2.076 . . . . 0.0 111.471 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.1 t -69.71 -38.72 77.02 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.525 1.13 . . . . 0.0 112.749 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.12 -27.56 69.47 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 t -70.22 -47.49 61.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.14 0.976 . . . . 0.0 112.62 174.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.1 ptm -79.61 -170.38 2.33 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.86 2.064 . . . . 0.0 113.11 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.774 2.03 . . . . 0.0 110.931 170.25 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -141.41 147.36 37.84 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.563 1.545 . . . . 0.0 110.684 171.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.1 10.38 0.41 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 126.487 1.915 . . . . 0.0 115.363 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -69.96 -26.38 64.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.451 1.5 . . . . 0.0 113.577 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -120.48 159.31 25.42 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.93 1.692 . . . . 0.0 111.006 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -145.19 -42.89 0.23 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.461 1.105 . . . . 0.0 112.913 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -142.16 169.11 18.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.278 1.431 . . . . 0.0 111.634 174.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -127.94 80.26 1.95 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.426 1.49 . . . . 0.0 112.424 -170.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -82.84 167.42 18.09 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.683 1.193 . . . . 0.0 112.796 171.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.57 102.14 0.24 Allowed Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.754 1.168 . . . . 0.0 113.038 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.8 67.32 1.38 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.551 1.541 . . . . 0.0 110.865 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -153.22 83.26 4.63 Favored Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 124.661 1.184 . . . . 0.0 112.231 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -76.51 88.8 1.33 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.987 3.124 . . . . 0.0 112.45 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -91.93 88.41 6.59 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.649 1.58 . . . . 0.0 110.709 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.0 -160.49 54.07 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 123.586 0.612 . . . . 0.0 112.933 -174.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 m -65.15 5.35 0.37 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -174.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -55.9 -32.9 64.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.214 1.406 . . . . 0.0 114.137 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.93 -36.1 81.49 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.175 -0.953 . . . . 0.0 113.066 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -66.38 -40.15 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 118.932 0.787 . . . . 0.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.03 -41.5 71.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.65 0.659 . . . . 0.0 112.126 174.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.75 46.24 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.986 0.914 . . . . 0.0 113.438 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.27 -45.69 87.42 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.738 1.215 . . . . 0.0 111.75 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -54.06 -45.78 71.77 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.727 1.211 . . . . 0.0 112.006 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.11 67.06 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.148 0.885 . . . . 0.0 112.961 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -62.09 -43.23 99.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.64 -43.3 94.13 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.681 0.793 . . . . 0.0 112.282 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.68 -41.47 99.12 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.26 1.424 . . . . 0.0 112.551 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.76 -41.35 77.44 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.553 1.141 . . . . 0.0 113.116 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -61.0 -52.81 63.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.751 1.22 . . . . 0.0 111.375 172.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.94 75.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.242 1.017 . . . . 0.0 113.672 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.52 -8.23 49.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.13 1.772 . . . . 0.0 114.1 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.29 15.6 62.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.584 1.088 . . . . 0.0 114.713 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -126.74 61.28 44.47 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.05 1.34 . . . . 0.0 112.342 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.93 -19.63 39.89 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.245 2.63 . . . . 0.0 113.369 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -57.31 -46.27 83.36 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.095 0.958 . . . . 0.0 111.637 175.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -58.45 -41.48 85.23 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.748 0.704 . . . . 0.0 112.135 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.84 -36.24 74.23 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.552 1.069 . . . . 0.0 112.999 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -67.02 -29.24 69.0 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.72 -18.5 65.37 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.327 0.967 . . . . 0.0 113.37 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.25 -44.89 93.89 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.689 1.131 . . . . 0.0 112.402 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.63 -14.43 62.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.679 1.192 . . . . 0.0 113.417 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.37 7.07 31.01 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.131 1.772 . . . . 0.0 112.609 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . 0.256 84.3 p 49.89 23.56 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.961 2.904 . . . . 0.0 115.883 -172.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -83.6 6.41 20.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.472 1.909 . . . . 0.0 114.276 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -52.52 60.95 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.75 81.57 2.64 Favored 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 123.179 2.586 . . . . 0.0 112.441 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 pt -128.24 65.05 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.963 1.705 . . . . 0.0 112.037 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 51.16 71.78 0.41 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.969 1.708 . . . . 0.0 112.476 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.3 mt -52.41 -42.61 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.296 1.038 . . . . 0.0 111.648 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t -58.48 -42.19 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.474 1.11 . . . . 0.0 111.789 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.45 -52.28 54.23 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.398 -0.814 . . . . 0.0 112.244 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 m -67.24 -29.11 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -80.01 -32.31 39.65 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -81.6 11.21 4.88 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.2 1.0 . . . . 0.0 113.144 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.96 -44.3 97.03 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.813 1.645 . . . . 0.0 114.085 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.1 p80 46.14 25.17 0.32 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 128.732 2.813 . . . . 0.0 118.129 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -68.08 -21.16 64.99 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 120.064 -1.648 . . . . 0.0 114.414 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -132.74 176.17 8.69 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.283 1.433 . . . . 0.0 113.131 -174.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.62 -175.92 0.73 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.622 1.969 . . . . 0.0 112.265 174.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 64.24 23.28 13.07 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.35 1.86 . . . . 0.0 114.103 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -19.07 11.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.46 1.504 . . . . 0.0 114.87 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -67.59 -22.19 65.38 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.971 1.708 . . . . 0.0 113.977 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt -81.99 -19.21 40.98 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.446 1.098 . . . . 0.0 112.902 167.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.18 -14.5 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 124.425 1.09 . . . . 0.0 112.279 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.46 -64.69 2.11 Favored Pre-proline 0 CA--C 1.55 0.947 0 O-C-N 120.671 -1.268 . . . . 0.0 112.749 162.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.66 -17.61 57.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.975 2.45 . . . . 0.0 114.224 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.3 tp -51.68 -42.88 62.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.292 1.037 . . . . 0.0 111.72 167.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.77 -41.61 74.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.216 1.006 . . . . 0.0 112.473 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.1 mmt-85 -63.26 -52.14 63.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.381 1.472 . . . . 0.0 111.383 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -62.56 -42.56 99.62 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.907 0.883 . . . . 0.0 112.842 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.76 -48.48 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.151 0.58 . . . . 0.0 112.012 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.56 -31.65 72.88 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.6 m -58.73 -50.63 73.21 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.078 0.951 . . . . 0.0 111.289 175.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.14 -24.78 61.51 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -56.91 -35.69 69.31 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.721 1.146 . . . . 0.0 112.573 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -53.7 -49.65 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.372 1.069 . . . . 0.0 111.577 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.73 -40.22 66.27 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.036 1.334 . . . . 0.0 112.815 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.02 75.66 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.084 0.954 . . . . 0.0 113.159 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 m -72.56 -9.74 58.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.47 101.98 7.6 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.645 1.111 . . . . 0.0 111.376 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt . . . . . 0 C--O 1.251 1.168 0 C-N-CA 127.866 2.466 . . . . 0.0 114.714 175.027 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -96.82 100.09 11.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.143 1.377 . . . . 0.0 111.423 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -144.39 159.29 42.97 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.121 1.368 . . . . 0.0 111.894 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -76.84 121.44 23.38 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.612 1.165 . . . . 0.0 111.943 177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -141.68 171.58 13.86 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.84 1.656 . . . . 0.0 111.821 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.6 m170 47.46 44.45 16.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.385 1.874 . . . . 0.0 114.254 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -99.33 -45.04 6.0 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.252 1.421 . . . . 0.0 113.463 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m 48.22 27.79 1.39 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 127.238 2.215 . . . . 0.0 115.823 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 p -68.82 164.25 22.36 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.312 1.845 . . . . 0.0 113.706 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.62 132.53 2.81 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.453 1.501 . . . . 0.0 112.164 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.09 36.62 0.76 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.273 1.429 . . . . 0.0 113.084 -171.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.64 86.98 54.03 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 126.134 1.774 . . . . 0.0 111.707 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -73.87 177.77 7.69 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 123.581 2.854 . . . . 0.0 112.212 172.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -125.18 134.31 52.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.956 1.702 . . . . 0.0 111.288 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.44 -40.82 1.89 Allowed Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.674 1.607 . . . . 0.0 114.605 173.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.7 p -74.11 25.08 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.259 2.224 . . . . 0.0 115.319 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -55.65 -36.69 67.33 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.871 1.668 . . . . 0.0 114.677 -168.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.98 -19.71 58.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 175.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.15 -30.63 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.456 1.503 . . . . 0.0 110.733 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -29.57 58.54 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.365 -0.834 . . . . 0.0 112.444 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -47.76 74.18 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.81 -49.15 77.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.294 1.038 . . . . 0.0 110.951 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -55.18 -49.21 72.47 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.397 0.679 . . . . 0.0 112.185 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.51 73.19 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.918 0.887 . . . . 0.0 113.037 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.0 m -56.15 -49.49 73.79 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.386 0.674 . . . . 0.0 112.112 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.61 -43.04 98.03 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.386 1.074 . . . . 0.0 113.022 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.82 -45.23 90.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.835 1.254 . . . . 0.0 112.357 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.02 -51.9 66.13 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.199 1.0 . . . . 0.0 112.123 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -62.72 -42.97 99.92 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.14 82.81 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.89 -7.45 45.76 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.149 1.78 . . . . 0.0 113.964 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.39 11.63 55.49 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.095 1.331 . . . . 0.0 114.736 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -124.5 59.48 20.54 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.303 1.441 . . . . 0.0 112.614 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.5 -20.18 48.01 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.287 2.658 . . . . 0.0 113.386 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -45.39 64.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.544 1.538 . . . . 0.0 112.101 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -62.17 -53.16 59.28 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.769 174.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.93 69.62 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 113.345 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -63.33 -20.23 65.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -88.54 -0.29 57.08 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.505 1.522 . . . . 0.0 114.251 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -60.64 -53.38 58.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.668 1.122 . . . . 0.0 112.339 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.76 -17.38 64.03 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -84.43 -5.11 59.25 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.13 1.372 . . . . 0.0 113.005 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 m 61.4 16.73 7.72 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 128.315 2.646 . . . . 0.0 115.272 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -88.34 20.65 3.19 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.45 1.5 . . . . 0.0 114.045 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.54 -57.66 21.25 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.53 79.39 3.34 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 122.993 2.462 . . . . 0.0 112.06 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 pt -123.78 61.86 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.855 1.662 . . . . 0.0 111.646 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.69 74.22 0.36 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.244 1.817 . . . . 0.0 111.845 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -53.59 -39.17 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.659 1.184 . . . . 0.0 111.515 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -61.46 -38.41 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.059 1.344 . . . . 0.0 112.293 175.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.04 -51.22 22.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.769 0.827 . . . . 0.0 112.085 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -61.33 -32.48 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -175.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -76.92 -34.17 57.69 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -86.01 0.36 53.53 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.433 1.493 . . . . 0.0 113.964 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -64.3 -2.57 2.24 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.893 1.677 . . . . 0.0 114.459 173.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.2 p80 49.65 32.34 4.99 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.754 2.422 . . . . 0.0 114.872 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -111.91 -19.01 12.53 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.04 1.736 . . . . 0.0 113.606 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -72.71 155.76 39.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.104 0.961 . . . . 0.0 112.697 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 mp -84.59 -64.38 1.17 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.116 1.366 . . . . 0.0 111.248 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -84.74 102.93 13.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.601 1.56 . . . . 0.0 112.458 -172.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -36.22 83.03 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.0 -22.96 64.05 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.97 -16.51 63.2 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.965 1.306 . . . . 0.0 113.295 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -66.59 -39.37 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.752 1.221 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.0 -59.22 11.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.23 -30.19 31.32 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.149 1.899 . . . . 0.0 113.11 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.09 -51.38 68.11 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.697 1.135 . . . . 0.0 111.389 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -53.74 -43.71 69.34 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.324 0.65 . . . . 0.0 112.69 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -61.53 -55.31 32.39 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.741 0.816 . . . . 0.0 112.189 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -63.03 -30.21 71.42 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.71 -56.64 7.47 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.494 0.718 . . . . 0.0 111.397 167.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.54 -39.0 78.97 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 t -63.14 -30.64 71.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.312 0.96 . . . . 0.0 113.014 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -80.17 -24.8 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -55.76 -37.55 68.68 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.842 1.201 . . . . 0.0 112.23 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -53.59 -40.87 66.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.165 1.786 . . . . 0.0 112.869 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.4 m -93.16 -24.41 18.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.063 1.345 . . . . 0.0 113.524 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.52 86.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.614 1.166 . . . . 0.0 112.536 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.7 m 57.42 12.48 1.47 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.958 2.103 . . . . 0.0 116.126 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.8 tpt -67.74 -50.84 55.18 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.772 1.629 . . . . 0.0 113.447 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? . . . . . 0 C--O 1.254 1.342 0 C-N-CA 125.286 1.434 . . . . 0.0 113.393 -171.693 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ptp . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -148.31 167.33 25.46 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.049 1.34 . . . . 0.0 111.865 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -59.4 119.93 8.38 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.657 0.783 . . . . 0.0 110.395 169.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -78.01 -78.57 0.14 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.874 0.87 . . . . 0.0 110.754 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -143.74 155.93 44.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.182 1.393 . . . . 0.0 112.331 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -81.41 170.38 16.04 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.034 1.733 . . . . 0.0 112.162 171.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -67.97 -68.21 0.4 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.541 1.136 . . . . 0.0 112.486 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.1 p -155.39 153.09 29.88 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.81 1.644 . . . . 0.0 111.865 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -159.64 170.9 20.59 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.219 1.408 . . . . 0.0 112.114 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.76 54.86 33.37 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 126.547 2.023 . . . . 0.0 116.086 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 mt -134.35 70.55 1.45 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.307 1.443 . . . . 0.0 112.035 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 p -154.05 88.21 3.53 Favored Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 125.122 1.369 . . . . 0.0 111.715 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.72 146.93 39.13 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 122.67 2.247 . . . . 0.0 111.633 172.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -142.29 -10.44 0.85 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 115.367 1.618 . . . . 0.0 115.367 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.56 0.25 84.43 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.036 1.303 . . . . 0.0 115.702 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.1 m -76.51 40.59 0.23 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.545 1.938 . . . . 0.0 113.723 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.83 -22.85 39.66 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.52 1.928 . . . . 0.0 115.814 -166.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -103.73 -41.14 6.02 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.696 1.198 . . . . 0.0 112.489 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mp -65.9 -27.71 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.415 1.486 . . . . 0.0 111.665 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.57 -27.76 58.61 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.557 1.143 . . . . 0.0 113.773 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.84 58.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.009 0.822 . . . . 0.0 112.11 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -55.77 -52.85 62.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.569 1.547 . . . . 0.0 110.805 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.58 -40.44 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -55.33 36.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.117 1.326 . . . . 0.0 112.036 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.0 m -56.21 -50.87 70.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.206 0.603 . . . . 0.0 112.26 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.99 -42.22 98.91 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.689 0.796 . . . . 0.0 112.959 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.542 0.737 . . . . 0.0 112.622 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.39 -38.63 74.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.962 0.801 . . . . 0.0 112.398 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -65.62 -48.67 71.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.579 0.751 . . . . 0.0 111.28 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.13 76.73 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.548 1.139 . . . . 0.0 113.433 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -7.67 45.08 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.9 1.68 . . . . 0.0 114.336 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 13.08 67.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.878 1.228 . . . . 0.0 114.719 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -125.93 59.83 30.89 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.315 1.446 . . . . 0.0 112.635 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.09 -18.59 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.243 2.628 . . . . 0.0 113.488 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -54.81 -45.41 74.39 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.645 1.178 . . . . 0.0 111.885 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -62.02 -44.09 97.45 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.995 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.04 84.92 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.577 1.08 . . . . 0.0 112.712 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -61.04 -20.9 63.08 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.2 mt -68.37 -15.73 63.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.552 1.069 . . . . 0.0 113.542 173.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.14 -56.76 9.79 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.862 1.21 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 -24.17 65.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.162 0.985 . . . . 0.0 112.857 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -83.59 -4.15 58.32 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.889 1.275 . . . . 0.0 113.738 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.5 m 62.11 37.64 14.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.017 2.127 . . . . 0.0 114.643 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -122.9 21.4 9.9 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.683 1.593 . . . . 0.0 114.336 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.8 -50.55 87.37 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 120.449 -1.407 . . . . 0.0 114.436 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -77.55 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.159 2.573 . . . . 0.0 112.362 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.6 pt -129.65 50.79 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.024 1.73 . . . . 0.0 112.148 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 51.93 75.77 0.2 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.25 1.82 . . . . 0.0 112.705 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.17 -31.89 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.223 1.009 . . . . 0.0 111.367 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -60.59 -34.01 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.883 1.273 . . . . 0.0 112.251 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.1 -54.4 26.08 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.01 -1.056 . . . . 0.0 112.059 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 m -71.45 -0.72 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -107.07 -6.68 17.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.427 1.491 . . . . 0.0 114.775 168.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -98.21 -1.61 41.65 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.318 1.047 . . . . 0.0 112.736 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -74.69 39.83 0.13 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.159 2.584 . . . . 0.0 114.853 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -67.82 79.43 0.2 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.277 1.431 . . . . 0.0 112.15 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -148.02 101.28 3.27 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.812 2.445 . . . . 0.0 109.333 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 52.72 35.88 19.63 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.852 1.661 . . . . 0.0 114.339 -172.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 tt -137.54 131.99 32.54 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 110.615 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -55.73 101.48 0.05 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.015 2.126 . . . . 0.0 113.061 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -57.14 -31.66 65.57 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.346 1.058 . . . . 0.0 113.687 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.13 -27.92 69.41 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.753 1.221 . . . . 0.0 113.607 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 tp -78.74 -22.39 46.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.4 1.48 . . . . 0.0 112.425 174.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.38 -27.2 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.793 1.237 . . . . 0.0 112.799 -176.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.11 -60.7 8.82 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.178 0.991 . . . . 0.0 112.583 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -66.2 -28.23 48.21 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.288 1.992 . . . . 0.0 113.764 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -54.19 -53.71 49.69 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.1 1.318 . . . . 0.0 111.043 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.02 -49.45 75.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 122.817 0.447 . . . . 0.0 112.038 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -55.18 -58.43 7.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.499 0.719 . . . . 0.0 112.401 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 -58.75 -38.14 77.78 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.732 0.813 . . . . 0.0 112.962 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.11 -51.89 61.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.402 0.681 . . . . 0.0 111.549 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -56.93 -38.14 72.49 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.829 1.252 . . . . 0.0 113.761 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -51.78 -57.67 8.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.449 1.5 . . . . 0.0 111.889 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.73 -27.97 61.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.032 0.933 . . . . 0.0 113.105 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -56.97 -36.82 70.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -49.45 -48.78 47.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.765 1.226 . . . . 0.0 112.17 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 48.4 t -69.83 -54.17 14.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.7 1.2 . . . . 0.0 111.893 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.76 -27.66 66.72 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 t -70.16 -20.67 63.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.393 1.477 . . . . 0.0 113.848 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.2 tpt -79.17 97.13 6.08 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.321 1.048 . . . . 0.0 111.33 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.681 1.592 . . . . 0.0 112.277 174.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -140.96 147.88 39.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.509 1.523 . . . . 0.0 111.067 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -73.12 -61.94 1.64 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.197 0.999 . . . . 0.0 111.761 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -143.75 167.02 23.27 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.538 1.935 . . . . 0.0 111.138 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -81.76 0.65 38.18 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.472 1.509 . . . . 0.0 114.28 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.25 84.76 0.25 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.215 1.806 . . . . 0.0 112.848 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -114.9 -69.97 0.83 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.265 1.826 . . . . 0.0 111.158 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -93.09 149.8 20.97 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.782 1.233 . . . . 0.0 112.037 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -144.86 20.34 1.63 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.028 1.331 . . . . 0.0 114.474 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.7 91.89 2.11 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.408 1.48 . . . . 0.0 113.031 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.23 52.16 1.28 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.363 1.465 . . . . 0.0 113.348 -173.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -147.47 89.42 5.46 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.552 1.141 . . . . 0.0 111.864 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.15 -18.0 10.2 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 123.136 2.558 . . . . 0.0 113.994 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -71.4 163.76 27.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.961 1.304 . . . . 0.0 112.62 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.86 107.6 1.37 Allowed Glycine 0 CA--C 1.533 1.207 0 C-N-CA 125.627 1.584 . . . . 0.0 113.024 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -70.39 28.95 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 128.552 2.741 . . . . 0.0 116.567 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -54.39 -42.14 70.07 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.426 1.89 . . . . 0.0 114.514 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -79.08 -28.4 43.1 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.444 -0.785 . . . . 0.0 113.06 175.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.06 -31.01 33.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.948 0.899 . . . . 0.0 111.092 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.85 -42.56 65.33 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.339 1.427 . . . . 0.0 112.755 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.8 -48.29 66.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.662 0.785 . . . . 0.0 112.78 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.07 -35.97 81.97 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.81 -43.03 99.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.345 1.058 . . . . 0.0 111.525 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.0 -59.19 5.25 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.469 1.031 . . . . 0.0 112.465 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.6 p -62.32 -41.13 98.3 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.039 0.836 . . . . 0.0 113.126 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.29 -38.92 93.04 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.917 -1.114 . . . . 0.0 112.995 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.64 -51.64 64.3 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.069 0.948 . . . . 0.0 112.246 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.95 -36.05 78.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.778 1.172 . . . . 0.0 112.327 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.46 -53.23 60.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.685 1.194 . . . . 0.0 111.627 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.72 78.99 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -26.38 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.51 1.524 . . . . 0.0 113.904 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.59 6.5 9.48 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.746 1.165 . . . . 0.0 115.483 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -125.5 64.27 47.54 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 119.053 1.426 . . . . 0.0 111.948 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -66.38 -23.97 50.59 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.362 2.708 . . . . 0.0 113.339 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -52.5 -44.64 65.82 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.476 1.511 . . . . 0.0 112.897 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.91 -49.0 64.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.91 -47.83 70.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.233 1.013 . . . . 0.0 113.216 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.7 -25.58 66.51 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.35 -0.98 24.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 114.244 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -60.2 -60.78 3.28 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.721 1.146 . . . . 0.0 112.761 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.19 -23.37 63.91 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.67 -8.0 51.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.162 1.385 . . . . 0.0 113.379 168.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.01 35.38 13.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.816 2.046 . . . . 0.0 113.594 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -121.78 30.82 6.5 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.867 1.667 . . . . 0.0 112.747 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -53.82 56.64 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 165.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.97 78.47 3.15 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 123.351 2.701 . . . . 0.0 112.475 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.0 pt -131.67 74.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.708 1.603 . . . . 0.0 112.158 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m120 53.82 70.33 0.61 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.809 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.29 -22.9 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.129 1.372 . . . . 0.0 112.604 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t -80.85 -30.37 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.031 1.332 . . . . 0.0 112.587 174.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.55 -43.18 73.46 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.888 -1.133 . . . . 0.0 112.236 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.12 -17.81 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -67.42 -27.86 67.42 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.558 1.143 . . . . 0.0 113.628 173.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -92.91 10.29 31.82 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.103 1.761 . . . . 0.0 112.95 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -72.04 69.33 0.73 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.473 1.509 . . . . 0.0 112.715 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 58.4 m80 43.55 48.7 6.36 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.726 2.41 . . . . 0.0 114.142 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -63.48 98.78 0.18 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.031 2.132 . . . . 0.0 112.251 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -86.78 78.23 9.13 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.168 0.987 . . . . 0.0 111.512 -170.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 tt 57.41 56.72 4.85 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.16 1.784 . . . . 0.0 111.077 -170.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -128.08 19.47 6.48 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.21 1.804 . . . . 0.0 112.981 -173.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -58.08 -23.87 56.36 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.086 1.354 . . . . 0.0 114.16 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.92 -36.93 85.02 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.001 0.92 . . . . 0.0 112.816 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.5 tp -79.37 -18.84 51.55 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.741 1.616 . . . . 0.0 112.897 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.7 t -64.05 -35.09 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 126.273 1.829 . . . . 0.0 112.971 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.22 -63.04 4.66 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.966 0.907 . . . . 0.0 113.223 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -67.65 -25.28 40.53 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 122.369 2.046 . . . . 0.0 113.737 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.39 -42.12 81.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.078 0.854 . . . . 0.0 111.441 168.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.39 -51.18 66.89 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.37 -0.831 . . . . 0.0 112.049 170.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -52.31 -60.91 2.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.206 1.002 . . . . 0.0 113.005 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.69 -37.88 88.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.53 -49.2 78.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.221 0.608 . . . . 0.0 111.46 170.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.4 -37.9 82.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.601 1.16 . . . . 0.0 113.932 176.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -55.12 -52.5 63.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.362 0.983 . . . . 0.0 111.575 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.6 mt -73.38 -26.65 61.09 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -40.73 71.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.06 . . . . 0.0 112.677 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -51.45 -48.28 62.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.156 1.382 . . . . 0.0 112.283 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.9 m -79.1 -38.03 37.23 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.543 1.137 . . . . 0.0 113.01 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.05 -46.46 89.06 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.603 1.161 . . . . 0.0 112.876 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 t 44.44 49.33 8.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.026 2.13 . . . . 0.0 114.267 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.4 ttt -129.19 45.87 2.73 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.517 1.527 . . . . 0.0 112.278 -172.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.126 1.37 . . . . 0.0 111.599 175.59 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 119.889 -0.1 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -126.61 -22.37 3.94 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -124.95 -65.93 1.0 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.795 1.238 . . . . 0.0 111.533 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 50.1 29.58 3.65 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.285 1.834 . . . . 0.0 113.877 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -68.91 148.48 50.14 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.322 1.049 . . . . 0.0 111.86 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -154.63 107.27 2.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.199 1.0 . . . . 0.0 111.615 175.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -145.15 113.27 6.5 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.113 1.365 . . . . 0.0 109.754 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.6 p -62.86 150.51 41.6 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.78 -0.575 . . . . 0.0 112.104 174.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.1 p -158.84 174.27 15.26 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.094 1.358 . . . . 0.0 112.143 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.83 25.74 3.2 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.29 1.424 . . . . 0.0 115.016 -176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tt -132.3 65.57 1.58 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.2 1.4 . . . . 0.0 111.108 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -157.37 88.72 2.54 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 125.538 1.535 . . . . 0.0 111.167 171.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.91 157.78 57.21 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.402 2.068 . . . . 0.0 111.417 170.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.18 173.9 12.95 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.429 1.492 . . . . 0.0 113.43 -177.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.59 -72.6 0.25 Allowed Glycine 0 N--CA 1.469 0.888 0 C-N-CA 126.004 1.764 . . . . 0.0 112.825 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -73.96 41.85 0.13 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.974 2.11 . . . . 0.0 114.292 -176.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -54.23 -34.41 60.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.738 2.015 . . . . 0.0 115.024 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -72.06 -39.36 69.08 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.364 -0.835 . . . . 0.0 112.559 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.6 mp -74.53 -38.24 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.422 1.089 . . . . 0.0 110.155 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -54.4 -39.81 67.63 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.055 0.942 . . . . 0.0 112.059 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.58 95.25 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.43 -54.92 41.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.353 1.061 . . . . 0.0 110.954 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -59.56 -42.24 91.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.365 1.066 . . . . 0.0 112.737 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.74 -53.76 54.0 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.674 1.19 . . . . 0.0 112.658 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.353 1.061 . . . . 0.0 112.251 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.73 -38.74 76.97 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -61.15 -43.8 98.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.874 0.87 . . . . 0.0 112.116 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.56 -41.32 69.66 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.32 1.048 . . . . 0.0 113.444 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.22 -54.12 49.56 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.976 1.31 . . . . 0.0 111.074 173.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.88 73.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.582 1.153 . . . . 0.0 113.936 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.07 -11.84 61.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.861 1.664 . . . . 0.0 114.195 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.29 13.51 55.74 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.932 1.254 . . . . 0.0 114.602 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.96 58.69 30.89 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.969 1.308 . . . . 0.0 112.683 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.31 -19.69 55.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.137 2.558 . . . . 0.0 113.262 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -53.9 -48.63 69.93 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.454 1.102 . . . . 0.0 112.369 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -65.28 -39.24 92.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.654 -0.654 . . . . 0.0 111.461 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.82 94.1 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.88 0.764 . . . . 0.0 112.226 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.53 -33.33 71.26 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.36 -10.6 17.41 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -63.31 -48.1 79.47 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.351 1.432 . . . . 0.0 111.708 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -69.21 -24.88 64.09 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.073 0.949 . . . . 0.0 112.645 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.03 -6.06 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.88 1.272 . . . . 0.0 113.347 171.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 m 59.63 39.05 21.73 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.719 2.008 . . . . 0.0 114.02 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -121.54 24.46 9.83 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.741 1.616 . . . . 0.0 114.062 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.32 -47.41 99.08 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 120.333 -1.479 . . . . 0.0 114.641 165.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.76 77.09 4.21 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.971 2.447 . . . . 0.0 112.572 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 pt -130.72 51.77 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.744 1.618 . . . . 0.0 112.667 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 58.99 78.18 0.27 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.866 1.666 . . . . 0.0 112.435 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -51.85 -48.29 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.173 1.389 . . . . 0.0 111.56 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.94 -29.03 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.028 0.931 . . . . 0.0 113.503 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.72 -58.42 3.36 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.259 0.936 . . . . 0.0 111.814 170.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -63.05 -35.48 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -69.46 -24.67 63.83 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -101.76 11.13 39.27 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.568 1.947 . . . . 0.0 112.709 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -69.8 71.76 0.36 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.916 1.687 . . . . 0.0 113.105 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 39.28 55.77 2.19 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 128.857 2.863 . . . . 0.0 113.845 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -99.7 -169.27 1.72 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.061 1.744 . . . . 0.0 111.857 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -58.79 143.93 45.64 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.701 -1.249 . . . . 0.0 112.446 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.4 tp -66.09 -24.25 66.67 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.748 1.219 . . . . 0.0 113.063 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.17 91.59 0.52 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.57 1.548 . . . . 0.0 112.168 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -58.12 -16.3 12.71 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.704 1.601 . . . . 0.0 113.806 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -56.53 -32.95 65.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.544 1.537 . . . . 0.0 113.791 171.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.33 -27.6 38.33 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.981 0.913 . . . . 0.0 111.934 171.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.8 -29.15 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.113 1.365 . . . . 0.0 112.217 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.14 -57.55 16.04 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.388 1.475 . . . . 0.0 113.924 174.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.78 -35.34 36.71 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.745 1.63 . . . . 0.0 112.23 173.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.67 -21.98 66.66 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 p -91.13 -46.63 7.99 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.686 1.585 . . . . 0.0 112.332 167.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -59.46 -50.4 74.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.498 1.119 . . . . 0.0 113.22 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.01 -41.88 99.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.201 1.0 . . . . 0.0 112.367 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.96 -37.9 82.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.939 0.896 . . . . 0.0 112.134 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.11 -34.36 73.38 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.01 0.924 . . . . 0.0 113.108 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.2 m -64.75 -53.56 45.12 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.56 -0.712 . . . . 0.0 111.695 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.84 -26.5 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.27 -44.12 79.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.923 . . . . 0.0 112.118 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -49.76 76.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.854 0.862 . . . . 0.0 111.574 174.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.48 -31.82 72.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.019 1.328 . . . . 0.0 113.583 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.03 -35.63 42.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.301 1.441 . . . . 0.0 113.228 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 t -63.45 -53.35 53.56 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.278 1.431 . . . . 0.0 112.123 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 mtp -79.67 154.12 28.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.264 0.626 . . . . 0.0 111.207 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.895 1.678 . . . . 0.0 113.163 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -119.99 122.62 41.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.857 1.263 . . . . 0.0 110.699 178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -79.37 122.87 26.91 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.063 0.945 . . . . 0.0 111.483 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -127.4 -52.56 1.38 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.906 1.282 . . . . 0.0 112.979 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 p80 45.98 25.26 0.3 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.938 2.495 . . . . 0.0 116.332 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -103.97 66.85 0.85 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.205 1.802 . . . . 0.0 111.098 -173.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -148.68 148.03 29.59 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.371 1.468 . . . . 0.0 111.906 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 p -87.95 166.25 14.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.679 1.592 . . . . 0.0 112.254 171.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -77.31 -63.08 1.45 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.03 0.932 . . . . 0.0 112.094 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.12 170.28 39.35 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.971 1.272 . . . . 0.0 113.417 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.92 109.0 3.72 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.069 1.348 . . . . 0.0 110.54 -174.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 t 41.13 78.97 0.35 Allowed Pre-proline 0 N--CA 1.488 1.428 0 C-N-CA 128.568 2.747 . . . . 0.0 113.457 -173.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -72.63 163.3 38.89 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 123.701 2.934 . . . . 0.0 113.116 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -76.68 -49.48 16.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.819 1.248 . . . . 0.0 112.987 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.69 -163.11 38.7 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.86 1.695 . . . . 0.0 114.185 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 m -62.76 -5.11 2.47 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -52.85 -40.13 63.13 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.125 1.37 . . . . 0.0 113.282 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -68.9 -37.66 79.12 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.39 0.996 . . . . 0.0 113.295 176.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.31 -54.13 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.403 1.481 . . . . 0.0 109.798 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -64.98 -35.77 82.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.167 0.587 . . . . 0.0 112.451 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.4 78.87 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -55.18 -54.93 37.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.657 1.183 . . . . 0.0 110.786 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.98 -44.62 94.36 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.496 0.719 . . . . 0.0 112.664 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.3 -55.46 34.53 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.729 1.15 . . . . 0.0 113.015 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.5 t -59.67 -48.71 80.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.328 0.651 . . . . 0.0 112.218 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.58 -35.91 82.2 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -62.02 -48.93 78.09 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.441 -0.787 . . . . 0.0 111.95 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -37.08 79.76 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.353 0.978 . . . . 0.0 112.822 177.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.27 -47.82 84.25 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.418 1.487 . . . . 0.0 111.784 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.11 76.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.467 1.107 . . . . 0.0 113.853 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.5 -13.29 60.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.994 1.718 . . . . 0.0 114.489 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.49 15.14 55.91 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.64 1.114 . . . . 0.0 114.423 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -124.52 59.69 21.55 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.937 1.295 . . . . 0.0 112.239 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -68.93 -15.39 40.13 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.0 2.466 . . . . 0.0 113.264 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -52.33 -53.74 40.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.687 1.195 . . . . 0.0 112.186 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -66.66 -38.25 86.45 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.557 -0.714 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.79 90.42 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.768 0.713 . . . . 0.0 112.504 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -62.79 -31.37 72.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 113.613 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.35 -10.41 24.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.277 1.031 . . . . 0.0 113.616 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.68 -50.41 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.018 1.281 . . . . 0.0 112.097 170.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.19 -29.54 69.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.338 1.055 . . . . 0.0 112.627 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.9 -2.7 52.13 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.616 1.167 . . . . 0.0 113.549 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 t 54.1 56.14 7.39 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.307 2.243 . . . . 0.0 113.386 -173.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -127.93 17.06 6.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.658 1.983 . . . . 0.0 113.051 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.93 99.52 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 120.529 -1.357 . . . . 0.0 114.478 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.98 79.84 3.19 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.002 2.468 . . . . 0.0 112.583 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 pt -131.33 45.82 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 126.09 1.756 . . . . 0.0 112.672 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 62.07 84.21 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.816 2.046 . . . . 0.0 112.246 -175.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.6 -42.38 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 t -56.52 -31.81 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.506 1.523 . . . . 0.0 112.737 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.49 34.32 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.789 0.836 . . . . 0.0 112.647 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.48 -29.18 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.589 1.086 . . . . 0.0 113.254 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -5.05 58.17 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -73.67 -12.6 60.78 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.001 0.92 . . . . 0.0 113.463 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.29 60.45 0.6 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.361 1.865 . . . . 0.0 112.931 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -74.49 32.61 0.09 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.222 2.209 . . . . 0.0 113.868 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.9 -162.97 0.31 Allowed 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 127.702 2.401 . . . . 0.0 112.48 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -62.19 -9.26 7.23 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.313 1.845 . . . . 0.0 115.02 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.84 169.44 6.56 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.156 1.382 . . . . 0.0 112.418 174.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -74.92 78.04 2.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.972 1.309 . . . . 0.0 112.854 -170.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -55.17 -34.25 63.66 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.275 1.43 . . . . 0.0 113.719 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.39 -29.74 69.15 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.287 1.035 . . . . 0.0 113.254 174.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -20.46 49.94 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.863 1.665 . . . . 0.0 113.05 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -75.44 -27.6 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.686 1.195 . . . . 0.0 112.645 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.26 -59.59 12.89 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 121.014 -1.053 . . . . 0.0 113.564 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.01 -27.95 42.04 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.521 2.147 . . . . 0.0 113.592 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.32 -47.04 79.52 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.169 0.895 . . . . 0.0 111.2 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 t -55.18 -44.41 75.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.344 0.657 . . . . 0.0 112.249 176.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -57.92 -59.91 4.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.448 1.099 . . . . 0.0 112.038 174.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.7 -34.64 78.77 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -173.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.5 -40.72 93.38 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.075 0.852 . . . . 0.0 112.65 172.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.89 -37.5 82.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.329 1.052 . . . . 0.0 112.561 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 m -57.86 -57.06 14.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.852 1.261 . . . . 0.0 112.247 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.62 -27.85 65.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.11 -46.31 68.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.82 0.848 . . . . 0.0 111.835 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.91 -50.87 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.528 0.731 . . . . 0.0 112.463 176.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.12 -42.64 99.44 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.338 0.655 . . . . 0.0 112.307 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.09 -48.12 77.4 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.552 1.141 . . . . 0.0 113.3 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.8 m -69.43 -31.55 69.96 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.54 1.136 . . . . 0.0 113.73 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 46.7 ttm -66.26 139.11 58.05 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.847 0.859 . . . . 0.0 111.81 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.256 1.822 . . . . 0.0 113.313 -178.438 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 mtm . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 118.942 -0.552 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -65.84 143.36 57.52 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.519 1.054 . . . . 0.0 111.342 172.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -128.32 52.53 1.89 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.825 1.65 . . . . 0.0 111.179 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -64.41 -33.29 75.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.111 0.964 . . . . 0.0 112.968 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -91.25 78.96 5.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.954 1.702 . . . . 0.0 110.196 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -132.79 138.19 47.05 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.269 1.428 . . . . 0.0 111.329 -177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -148.93 160.0 43.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.211 1.404 . . . . 0.0 112.441 -174.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -143.99 152.66 41.34 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.05 1.74 . . . . 0.0 111.288 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 m -156.46 166.3 33.82 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.72 2.008 . . . . 0.0 111.188 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.89 58.59 10.46 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.81 1.195 . . . . 0.0 114.948 168.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.64 102.81 5.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.459 1.504 . . . . 0.0 110.024 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.9 t 43.46 79.35 0.34 Allowed Pre-proline 0 N--CA 1.485 1.279 0 C-N-CA 127.505 2.322 . . . . 0.0 112.704 -170.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -67.64 158.3 57.8 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.517 2.145 . . . . 0.0 112.078 177.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -134.98 -59.59 0.79 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.592 1.557 . . . . 0.0 110.991 -177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -136.39 -179.7 16.97 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 126.107 1.813 . . . . 0.0 112.407 173.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -64.97 2.06 0.8 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -173.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.16 -50.72 48.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.237 1.815 . . . . 0.0 114.408 -172.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.8 -26.95 33.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.284 -0.885 . . . . 0.0 113.218 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mp -72.78 -43.68 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.788 1.235 . . . . 0.0 111.678 -174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.59 -35.06 73.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.394 -0.816 . . . . 0.0 111.891 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.88 -38.11 54.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.967 0.907 . . . . 0.0 113.329 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -55.84 -50.49 70.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.231 1.412 . . . . 0.0 111.758 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.87 -38.47 78.86 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.25 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.714 0.805 . . . . 0.0 113.078 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.43 -30.31 71.35 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.52 -51.07 25.59 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.271 0.941 . . . . 0.0 112.358 172.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -58.53 -40.55 83.25 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.516 -0.74 . . . . 0.0 112.627 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.42 -31.55 65.98 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -72.51 -48.06 43.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.631 0.772 . . . . 0.0 111.105 174.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.29 72.54 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.69 1.196 . . . . 0.0 113.233 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.25 -11.49 59.44 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.627 1.571 . . . . 0.0 114.408 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.27 14.8 63.44 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.969 1.271 . . . . 0.0 114.513 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -124.31 58.16 15.68 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 112.527 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.33 -19.58 55.73 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.108 2.539 . . . . 0.0 113.42 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -54.73 -37.44 65.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -58.06 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.538 0.608 . . . . 0.0 110.702 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -44.79 64.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.236 1.014 . . . . 0.0 113.341 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -63.03 -23.03 67.26 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.37 -2.11 54.99 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.231 1.412 . . . . 0.0 114.066 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.2 -51.57 69.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.65 1.114 . . . . 0.0 112.294 175.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.68 -25.3 67.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.349 1.06 . . . . 0.0 113.085 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -88.62 3.21 51.37 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.279 1.432 . . . . 0.0 113.143 174.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.4 m 55.17 31.95 17.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.871 2.068 . . . . 0.0 113.982 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -101.34 13.47 34.97 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.876 2.07 . . . . 0.0 113.25 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.03 -56.61 31.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 120.825 -1.172 . . . . 0.0 113.847 169.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.05 81.24 2.26 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.296 2.664 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 pt -125.04 76.39 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.028 1.731 . . . . 0.0 111.418 175.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.0 t30 50.15 52.01 15.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.508 1.523 . . . . 0.0 112.708 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.8 mt -52.88 -43.81 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.784 1.633 . . . . 0.0 111.536 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -59.73 -21.65 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.823 1.649 . . . . 0.0 114.302 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.01 -44.99 8.56 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.397 1.079 . . . . 0.0 112.893 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.63 -30.36 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 119.711 1.141 . . . . 0.0 112.818 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -65.2 -34.84 79.33 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.77 0.828 . . . . 0.0 112.737 170.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -66.96 -29.43 69.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.259 1.423 . . . . 0.0 112.169 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.51 66.23 0.69 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.826 1.65 . . . . 0.0 111.837 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 39.41 0.07 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.781 2.432 . . . . 0.0 114.27 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.58 43.73 0.19 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.731 2.412 . . . . 0.0 113.7 -174.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -124.48 172.11 9.44 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.969 2.107 . . . . 0.0 111.524 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.01 -32.36 73.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.861 0.864 . . . . 0.0 113.266 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -138.63 127.99 24.44 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.749 1.62 . . . . 0.0 111.654 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -62.83 -20.05 64.68 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -64.67 -15.86 61.95 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 174.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.5 -19.98 62.88 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.568 1.147 . . . . 0.0 112.892 171.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.21 -30.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.401 1.48 . . . . 0.0 112.835 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.77 -62.77 3.62 Favored Pre-proline 0 N--CA 1.475 0.788 0 CA-C-O 118.244 -0.884 . . . . 0.0 112.098 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -65.41 -31.61 51.54 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.425 2.084 . . . . 0.0 113.209 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.4 tp -51.31 -55.45 18.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.967 1.258 . . . . 0.0 111.067 170.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.6 t -63.37 -50.47 69.81 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.876 -0.515 . . . . 0.0 112.314 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -55.46 -50.72 69.12 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.562 1.545 . . . . 0.0 112.993 -175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.65 -43.18 94.47 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.591 1.156 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.83 -48.82 80.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.595 0.758 . . . . 0.0 111.825 172.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.33 -39.29 86.55 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.355 1.462 . . . . 0.0 113.35 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.0 m -58.81 -44.76 90.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.226 1.01 . . . . 0.0 111.618 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 mp -75.19 -31.14 60.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 175.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -54.65 -39.27 67.84 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.365 1.066 . . . . 0.0 112.551 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -50.4 -41.03 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.417 1.887 . . . . 0.0 113.047 172.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.3 t -88.0 -37.69 16.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.972 1.309 . . . . 0.0 112.667 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.62 98.41 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.296 1.438 . . . . 0.0 113.823 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.2 m 34.48 69.34 0.16 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.8 2.44 . . . . 0.0 114.514 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -177.18 1.3 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.964 1.706 . . . . 0.0 114.891 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.912 2.085 . . . . 0.0 111.359 170.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -128.6 102.71 6.72 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.247 -1.533 . . . . 0.0 111.909 -171.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -60.73 -49.62 76.77 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.801 1.24 . . . . 0.0 112.654 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -100.18 122.45 43.03 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.315 1.446 . . . . 0.0 111.075 175.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -126.63 -0.23 6.8 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.72 1.608 . . . . 0.0 113.54 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -74.56 176.62 6.71 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.376 1.47 . . . . 0.0 112.4 173.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -150.81 152.67 34.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.763 1.625 . . . . 0.0 112.13 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -161.38 158.45 26.87 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.278 1.431 . . . . 0.0 111.809 167.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 p -81.88 -14.75 55.79 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.418 1.487 . . . . 0.0 113.616 169.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.1 173.23 13.22 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.671 1.605 . . . . 0.0 114.42 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mt -144.94 120.03 10.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.578 1.951 . . . . 0.0 110.535 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 t 34.8 72.13 0.74 Allowed Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 128.502 2.721 . . . . 0.0 113.007 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.62 122.66 9.87 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.053 2.502 . . . . 0.0 111.913 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -136.17 152.35 50.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.106 1.762 . . . . 0.0 111.948 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.45 68.54 1.62 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.74 1.162 . . . . 0.0 112.311 -175.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.5 p 50.44 14.62 0.17 Allowed 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 128.835 2.854 . . . . 0.0 116.84 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.0 -37.02 78.48 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.57 1.548 . . . . 0.0 114.151 -172.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.96 -40.82 95.58 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.285 0.948 . . . . 0.0 112.305 173.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.35 -49.1 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.583 1.153 . . . . 0.0 109.542 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.33 -49.06 70.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.038 0.935 . . . . 0.0 112.196 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.08 83.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.73 0.812 . . . . 0.0 112.908 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -60.53 -54.34 46.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.501 1.52 . . . . 0.0 112.045 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.11 -30.8 71.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.845 0.858 . . . . 0.0 113.276 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.65 5.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.945 1.248 . . . . 0.0 112.427 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 m -57.31 -44.33 84.03 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.25 0.62 . . . . 0.0 112.556 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.07 -40.55 98.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -62.69 -45.07 94.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.717 0.807 . . . . 0.0 112.373 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.04 -45.88 71.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.228 0.922 . . . . 0.0 112.031 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -61.18 -53.27 59.02 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 111.96 173.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.61 74.2 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.693 1.197 . . . . 0.0 113.796 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.87 -11.99 61.06 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.034 1.734 . . . . 0.0 114.341 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.98 8.33 48.22 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.791 1.186 . . . . 0.0 115.332 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.36 65.21 57.96 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 119.1 1.45 . . . . 0.0 112.455 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.3 -17.54 54.25 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.189 2.593 . . . . 0.0 113.872 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.24 -36.97 53.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.665 1.186 . . . . 0.0 113.074 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -69.93 -53.8 16.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.357 0.663 . . . . 0.0 111.061 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.64 -44.45 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.371 1.068 . . . . 0.0 113.521 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -64.72 -14.83 60.17 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.75 3.7 55.14 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.432 1.493 . . . . 0.0 113.777 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.99 -58.42 8.51 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.591 1.087 . . . . 0.0 112.109 175.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.5 -25.96 64.31 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.404 0.682 . . . . 0.0 112.759 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.86 -5.39 48.19 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.55 1.14 . . . . 0.0 113.096 170.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 m 58.27 39.94 25.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.943 2.497 . . . . 0.0 114.907 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -116.87 29.6 7.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.905 1.282 . . . . 0.0 113.058 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.97 -54.47 56.14 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.432 1.093 . . . . 0.0 113.558 164.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.08 83.4 2.14 Favored 'Trans proline' 0 CA--C 1.546 1.098 0 C-N-CA 123.188 2.592 . . . . 0.0 112.628 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 pt -133.81 64.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.602 1.561 . . . . 0.0 112.642 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 48.82 79.75 0.07 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.845 1.658 . . . . 0.0 113.089 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.51 -36.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 121.091 -1.006 . . . . 0.0 111.561 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.4 -21.61 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.974 1.71 . . . . 0.0 113.14 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.5 -50.37 6.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.403 1.081 . . . . 0.0 112.212 171.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.7 m -63.98 -26.6 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.95 -15.2 63.54 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -119.19 23.93 11.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.407 2.283 . . . . 0.0 112.194 -172.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.78 34.9 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 128.152 2.581 . . . . 0.0 115.679 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 50.01 74.5 0.21 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 128.078 2.551 . . . . 0.0 113.021 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -134.37 -169.23 2.29 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.103 2.161 . . . . 0.0 111.255 -174.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -57.22 143.82 37.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.568 -1.333 . . . . 0.0 112.624 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.22 -10.1 59.2 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.982 1.313 . . . . 0.0 113.42 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.05 87.02 0.74 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.439 1.496 . . . . 0.0 112.707 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -55.88 -16.98 5.35 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.231 1.812 . . . . 0.0 114.486 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -58.76 -32.06 68.92 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.394 1.478 . . . . 0.0 113.421 170.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 tp -82.8 -26.18 32.0 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.588 1.155 . . . . 0.0 112.563 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.13 -32.83 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.676 1.19 . . . . 0.0 112.401 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -51.49 -63.14 2.2 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-O 118.13 -0.938 . . . . 0.0 113.089 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.15 -35.59 63.27 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.111 1.874 . . . . 0.0 112.73 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 63.0 tp -54.81 -55.19 32.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.231 1.012 . . . . 0.0 111.744 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.88 -42.8 99.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.456 0.702 . . . . 0.0 112.299 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -58.52 -56.24 24.64 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.011 1.325 . . . . 0.0 112.713 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -58.9 -42.21 89.04 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.359 0.981 . . . . 0.0 112.46 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.02 -55.64 32.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.599 1.159 . . . . 0.0 111.299 170.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.0 -35.31 74.76 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.0 m -59.59 -54.87 41.47 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.291 1.036 . . . . 0.0 111.268 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.3 -24.44 62.14 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -54.15 -33.58 58.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.401 1.001 . . . . 0.0 112.699 171.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.45 -50.22 70.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.965 0.906 . . . . 0.0 111.609 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.4 m -77.42 -38.56 49.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.781 0.832 . . . . 0.0 113.103 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.38 80.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.243 1.017 . . . . 0.0 113.543 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 t -73.33 -50.46 21.94 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.548 1.139 . . . . 0.0 112.132 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -178.7 3.82 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.142 1.377 . . . . 0.0 112.872 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? . . . . . 0 C--O 1.254 1.336 0 C-N-CA 127.475 2.31 . . . . 0.0 112.818 -178.742 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -130.19 114.99 16.38 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.323 1.449 . . . . 0.0 110.343 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -132.09 137.99 47.96 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.141 1.376 . . . . 0.0 111.448 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -140.47 120.14 13.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.96 1.704 . . . . 0.0 110.095 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -63.65 155.55 29.51 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.17 0.509 . . . . 0.0 112.265 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -149.52 150.86 32.95 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.164 1.386 . . . . 0.0 110.682 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -132.8 92.06 2.99 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.426 1.491 . . . . 0.0 110.738 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m -85.91 94.22 9.13 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.303 1.441 . . . . 0.0 111.627 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 t -70.62 140.58 51.66 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.299 -0.876 . . . . 0.0 111.908 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.55 118.75 0.68 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.418 1.485 . . . . 0.0 113.319 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.6 tp -144.47 100.68 3.57 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.94 1.296 . . . . 0.0 110.789 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 t 51.04 78.91 0.37 Allowed Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 127.319 2.248 . . . . 0.0 112.862 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.76 169.87 19.14 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.464 2.776 . . . . 0.0 112.759 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -133.75 130.45 38.09 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.735 1.614 . . . . 0.0 111.501 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.7 -53.71 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.478 1.99 . . . . 0.0 111.797 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 p -74.4 51.17 0.43 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.947 2.099 . . . . 0.0 114.198 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.88 -68.94 0.33 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.515 -1.365 . . . . 0.0 111.371 174.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.0 -34.85 77.31 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.386 -0.821 . . . . 0.0 112.925 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mp -62.97 -42.61 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 123.767 0.827 . . . . 0.0 110.876 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.81 -46.32 87.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.322 0.965 . . . . 0.0 112.741 173.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.25 87.33 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.623 0.647 . . . . 0.0 112.283 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -59.52 -56.21 24.8 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.373 1.469 . . . . 0.0 111.251 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.64 -38.1 83.69 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.377 1.071 . . . . 0.0 112.946 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -53.27 60.08 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 120.507 1.503 . . . . 0.0 111.832 174.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.98 -52.34 65.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.472 1.109 . . . . 0.0 112.044 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -69.95 -27.75 65.0 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -74.99 -42.03 58.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.865 -1.147 . . . . 0.0 112.231 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -56.58 -44.33 80.91 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.806 0.73 . . . . 0.0 112.311 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -61.99 -44.81 95.95 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -33.67 76.29 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.293 1.037 . . . . 0.0 113.313 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -7.06 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.042 1.737 . . . . 0.0 114.085 172.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.26 11.63 58.27 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.118 1.342 . . . . 0.0 114.46 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -125.93 59.85 31.01 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.049 1.34 . . . . 0.0 112.726 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -65.48 -21.15 60.64 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.214 2.609 . . . . 0.0 113.211 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -54.66 -40.45 69.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.914 1.286 . . . . 0.0 112.87 174.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.0 -50.64 65.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.623 0.647 . . . . 0.0 111.207 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.79 74.86 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.921 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -59.09 -28.46 66.52 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.78 0.42 34.85 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.162 1.385 . . . . 0.0 114.244 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -61.61 -61.93 2.17 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.544 1.066 . . . . 0.0 112.528 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.63 -22.16 64.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.48 -6.71 45.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.496 1.518 . . . . 0.0 113.578 169.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t 60.35 44.03 12.78 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.706 2.002 . . . . 0.0 112.977 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -122.78 16.27 10.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.262 1.825 . . . . 0.0 113.092 -173.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -56.15 38.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.01 83.4 1.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.89 2.393 . . . . 0.0 112.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.26 74.81 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.194 1.798 . . . . 0.0 110.859 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 m120 51.11 64.08 1.98 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.859 1.663 . . . . 0.0 112.049 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.11 -36.4 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.151 0.981 . . . . 0.0 111.902 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.39 -36.47 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.182 0.993 . . . . 0.0 112.372 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.47 71.84 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.479 -0.763 . . . . 0.0 111.944 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.4 m -62.59 -18.39 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -60.89 -34.24 74.34 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.832 0.853 . . . . 0.0 112.882 171.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -71.44 -16.92 62.4 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.445 1.098 . . . . 0.0 113.457 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -76.82 68.83 3.09 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.332 1.053 . . . . 0.0 110.61 169.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -71.67 66.57 0.53 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.342 1.857 . . . . 0.0 111.897 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.18 -25.53 64.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.755 1.222 . . . . 0.0 113.395 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -101.68 153.9 19.36 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.261 1.824 . . . . 0.0 111.196 172.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.35 -26.25 62.74 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.36 101.9 12.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.188 1.395 . . . . 0.0 111.562 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -59.55 -22.42 61.67 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.369 -0.832 . . . . 0.0 113.011 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.11 -15.12 20.77 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.946 1.298 . . . . 0.0 114.077 171.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 tp -70.7 -24.71 62.7 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.551 1.14 . . . . 0.0 112.987 170.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.81 -34.86 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.998 1.319 . . . . 0.0 112.419 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.78 -63.51 2.52 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.716 1.206 . . . . 0.0 112.366 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.62 -32.4 48.07 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.516 2.144 . . . . 0.0 113.397 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.5 tp -55.32 -52.5 63.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 120.166 1.348 . . . . 0.0 111.411 172.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.57 -53.09 60.93 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.603 0.761 . . . . 0.0 111.841 174.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -58.19 -55.07 39.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.601 1.56 . . . . 0.0 113.148 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -60.52 -39.11 86.62 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.243 0.929 . . . . 0.0 112.589 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.36 -52.17 65.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.552 0.741 . . . . 0.0 111.268 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -56.31 -42.79 78.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.565 1.146 . . . . 0.0 113.741 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.0 m -61.65 -46.23 90.66 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.394 -0.817 . . . . 0.0 112.461 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.5 mt -72.28 -27.12 62.27 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.4 -34.34 72.33 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.449 1.022 . . . . 0.0 112.739 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -41.73 66.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.917 1.287 . . . . 0.0 112.482 171.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -87.99 -20.55 25.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.637 1.175 . . . . 0.0 113.863 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.48 -28.19 66.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.487 1.115 . . . . 0.0 113.556 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.3 m 54.81 25.21 6.39 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.483 1.913 . . . . 0.0 115.193 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.3 mmt -93.2 -20.32 20.58 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 C--O 1.254 1.333 0 C-N-CA 124.705 1.202 . . . . 0.0 111.626 172.501 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -150.48 105.4 3.32 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.909 1.284 . . . . 0.0 111.091 174.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -151.02 170.58 19.02 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.517 1.527 . . . . 0.0 111.84 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -135.59 132.15 36.77 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.694 1.598 . . . . 0.0 110.541 175.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -69.46 159.93 32.36 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.335 0.654 . . . . 0.0 112.112 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 50.05 34.47 8.3 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.496 1.918 . . . . 0.0 114.058 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -101.85 12.68 36.62 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.588 1.555 . . . . 0.0 113.288 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -75.21 64.11 1.41 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.213 1.405 . . . . 0.0 112.018 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.4 p -76.26 44.63 0.34 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.906 2.082 . . . . 0.0 112.387 172.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.26 -169.51 39.12 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.056 1.789 . . . . 0.0 112.552 -167.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 41.69 3.38 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.131 1.772 . . . . 0.0 112.503 -172.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -141.5 89.44 9.32 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 125.844 1.658 . . . . 0.0 111.46 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.84 165.36 32.44 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.523 2.148 . . . . 0.0 111.408 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -133.42 -64.78 0.71 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.572 1.149 . . . . 0.0 111.824 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.77 156.73 40.84 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 123.706 0.669 . . . . 0.0 112.38 170.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 p -84.17 19.7 1.77 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.285 1.834 . . . . 0.0 114.458 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -55.73 -35.95 66.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.997 1.319 . . . . 0.0 114.281 -171.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -78.89 -18.68 53.48 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 176.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.35 -26.89 34.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.085 0.954 . . . . 0.0 111.692 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.37 -49.42 64.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.909 0.884 . . . . 0.0 111.548 167.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.21 -37.34 66.47 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -54.51 -57.09 12.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.875 0.87 . . . . 0.0 111.205 171.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -62.59 -37.97 88.31 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.534 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -57.84 10.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.77 1.168 . . . . 0.0 112.655 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.9 -50.06 75.27 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.24 -47.82 83.94 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.281 1.032 . . . . 0.0 112.967 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -62.4 -41.01 98.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.963 0.905 . . . . 0.0 112.663 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.98 -34.96 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.905 0.775 . . . . 0.0 112.863 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -66.64 -49.35 66.52 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.445 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.83 73.95 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.765 1.226 . . . . 0.0 113.553 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.73 50.92 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.986 1.715 . . . . 0.0 114.095 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 12.2 67.63 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.145 1.355 . . . . 0.0 114.453 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -125.64 58.1 20.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.218 1.407 . . . . 0.0 112.919 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -65.17 -19.36 62.78 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.845 2.363 . . . . 0.0 113.2 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.18 -37.25 64.28 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.066 1.346 . . . . 0.0 113.452 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.46 -55.91 20.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.786 0.721 . . . . 0.0 110.74 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.87 77.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.773 0.829 . . . . 0.0 113.1 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.75 -29.58 69.48 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.03 2.17 24.85 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.708 1.603 . . . . 0.0 114.392 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -59.7 -57.16 14.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.499 1.12 . . . . 0.0 112.829 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.11 -20.71 64.07 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -74.97 -6.7 50.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.861 1.264 . . . . 0.0 113.26 169.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m 60.2 24.86 14.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.763 2.025 . . . . 0.0 114.016 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -94.94 11.56 31.4 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.761 1.624 . . . . 0.0 113.745 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.26 -51.69 79.77 Favored Pre-proline 0 CA--C 1.552 1.045 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 171.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.57 80.05 2.39 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 123.213 2.608 . . . . 0.0 112.367 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.18 62.98 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.986 1.714 . . . . 0.0 112.054 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.89 71.37 0.52 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.892 1.677 . . . . 0.0 112.005 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.4 mt -52.79 -42.74 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.331 1.052 . . . . 0.0 111.297 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.1 t -59.57 -31.32 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.268 1.427 . . . . 0.0 113.017 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.26 -56.89 4.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.975 0.91 . . . . 0.0 111.728 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 m -65.08 -33.08 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -174.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -62.55 -38.65 90.84 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.775 0.716 . . . . 0.0 111.966 176.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -75.74 -10.48 59.47 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.564 1.546 . . . . 0.0 113.493 -176.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.61 -34.04 73.53 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.697 -1.252 . . . . 0.0 114.027 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -86.33 14.79 6.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.243 1.417 . . . . 0.0 114.303 -175.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.91 -28.0 54.71 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -81.48 -20.28 40.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.833 1.253 . . . . 0.0 114.2 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.7 tp -90.41 -75.44 0.46 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.791 1.236 . . . . 0.0 111.109 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -147.03 97.58 2.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.363 1.465 . . . . 0.0 110.845 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -58.61 -33.97 70.62 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.283 -0.886 . . . . 0.0 112.825 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -66.84 -22.62 65.99 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.322 1.049 . . . . 0.0 113.69 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.4 tp -75.59 -18.85 59.6 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.508 1.123 . . . . 0.0 112.32 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.9 t -73.61 -32.91 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.489 1.516 . . . . 0.0 112.528 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.76 -62.4 4.66 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.215 1.006 . . . . 0.0 113.142 174.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.87 -34.18 49.9 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.366 2.044 . . . . 0.0 112.882 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.5 tp -54.13 -53.57 51.5 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.388 0.994 . . . . 0.0 111.043 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.62 -47.25 73.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.317 1.047 . . . . 0.0 112.037 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.28 -59.04 6.04 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.156 0.982 . . . . 0.0 113.451 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.89 -42.16 97.55 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.498 1.119 . . . . 0.0 112.512 -172.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.61 -45.73 92.86 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.511 0.596 . . . . 0.0 111.73 172.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.47 -8.54 34.27 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.7 m -86.93 -57.75 2.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.553 1.141 . . . . 0.0 110.779 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.34 -35.6 78.0 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -59.92 -29.23 68.23 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.288 0.949 . . . . 0.0 112.952 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -65.91 -25.57 67.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.658 2.383 . . . . 0.0 113.16 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.4 m -96.76 -34.29 11.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.341 1.457 . . . . 0.0 112.036 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.09 67.83 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.3 p -69.78 -27.71 65.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.549 1.14 . . . . 0.0 113.655 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 22.8 mmt -91.34 168.57 11.48 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.989 1.715 . . . . 0.0 111.695 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.962 1.705 . . . . 0.0 111.726 -179.044 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -133.31 99.07 4.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.194 1.398 . . . . 0.0 111.073 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -145.6 123.77 12.19 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.674 1.19 . . . . 0.0 110.419 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -132.67 150.79 52.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.904 1.282 . . . . 0.0 111.556 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -142.7 165.91 26.09 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.931 1.692 . . . . 0.0 112.084 177.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -133.52 92.2 2.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.142 1.777 . . . . 0.0 110.085 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -127.72 79.87 1.92 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.015 1.326 . . . . 0.0 110.697 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.0 p -140.66 96.47 3.03 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.854 1.662 . . . . 0.0 111.613 -173.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -148.53 167.89 24.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.33 1.452 . . . . 0.0 111.708 177.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.13 169.05 13.61 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.78 1.657 . . . . 0.0 112.851 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.4 tp -145.48 99.96 3.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.494 1.117 . . . . 0.0 110.906 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 t 47.22 74.65 0.77 Allowed Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 127.388 2.275 . . . . 0.0 112.515 -175.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.44 165.97 31.16 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.139 2.559 . . . . 0.0 112.859 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -100.61 -60.85 1.45 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.639 1.576 . . . . 0.0 112.689 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.13 1.02 40.79 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.369 1.462 . . . . 0.0 115.289 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 t -74.66 71.43 1.91 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.178 1.391 . . . . 0.0 112.377 -177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -97.24 -59.92 1.69 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.588 1.555 . . . . 0.0 109.726 173.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.29 -30.8 60.5 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.482 0.713 . . . . 0.0 112.911 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp -68.03 -36.98 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.911 0.885 . . . . 0.0 111.327 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -52.99 -58.56 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.457 1.103 . . . . 0.0 111.673 169.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.13 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.004 0.922 . . . . 0.0 112.748 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -58.59 -54.08 51.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.566 1.546 . . . . 0.0 112.186 177.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.21 -31.74 71.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.33 -52.14 14.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.677 0.791 . . . . 0.0 112.965 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 -49.69 76.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.865 1.266 . . . . 0.0 112.02 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.29 -45.56 92.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.271 1.028 . . . . 0.0 112.305 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -63.61 -45.85 88.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.0 mt -56.51 -42.48 78.44 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.148 0.886 . . . . 0.0 112.164 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.5 -54.25 47.74 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.436 1.094 . . . . 0.0 112.016 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.1 70.49 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -12.86 61.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.205 1.402 . . . . 0.0 113.958 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.39 7.07 40.76 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.416 1.484 . . . . 0.0 115.118 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -128.18 62.7 59.47 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.188 1.494 . . . . 0.0 112.997 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.05 -19.21 63.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.238 2.625 . . . . 0.0 113.597 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.29 -39.59 67.07 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.274 1.03 . . . . 0.0 112.92 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -65.31 -51.08 63.03 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.923 0.489 . . . . 0.0 110.848 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 -45.16 72.06 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.232 1.013 . . . . 0.0 113.265 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -61.61 -25.5 67.39 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.42 -0.24 25.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.01 1.324 . . . . 0.0 114.448 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -61.27 -54.29 45.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.64 1.109 . . . . 0.0 112.937 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.73 -24.22 66.2 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -81.94 -2.79 52.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.914 1.286 . . . . 0.0 113.006 171.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t 52.62 49.82 19.54 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.393 2.677 . . . . 0.0 113.908 -176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -122.53 26.79 8.16 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.179 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.44 -54.62 36.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.681 1.192 . . . . 0.0 114.041 166.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -77.75 78.36 3.57 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.122 2.548 . . . . 0.0 112.165 -176.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 pt -127.65 76.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.96 1.704 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 m120 50.46 64.63 1.73 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.58 1.552 . . . . 0.0 112.412 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.4 mt -49.59 -48.44 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.588 1.555 . . . . 0.0 111.469 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.03 -34.09 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.714 1.206 . . . . 0.0 113.354 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.28 -51.89 15.94 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.389 0.995 . . . . 0.0 111.886 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.47 -34.53 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -177.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -73.94 -30.96 62.82 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -81.39 3.0 25.99 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.206 1.402 . . . . 0.0 113.62 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.3 -21.54 59.85 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.698 1.199 . . . . 0.0 113.703 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 46.96 48.06 15.49 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.415 2.286 . . . . 0.0 113.546 170.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -130.99 97.68 4.38 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.913 1.685 . . . . 0.0 110.065 -172.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 64.62 19.16 11.73 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.508 1.923 . . . . 0.0 115.094 -174.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mp -110.53 169.83 8.49 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.078 1.751 . . . . 0.0 112.222 172.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -128.95 158.69 38.1 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.682 1.993 . . . . 0.0 110.76 172.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -58.57 -28.38 65.48 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -73.85 -24.61 59.78 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.259 1.424 . . . . 0.0 113.519 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt -83.24 -29.28 28.59 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.119 1.368 . . . . 0.0 112.601 171.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.63 -36.38 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.822 1.249 . . . . 0.0 112.652 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.93 -65.07 1.36 Allowed Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.813 1.245 . . . . 0.0 113.415 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -65.43 -34.3 43.97 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.313 2.009 . . . . 0.0 112.95 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.08 -51.81 62.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.258 1.39 . . . . 0.0 111.348 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.4 t -58.41 -53.5 57.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.673 0.789 . . . . 0.0 112.115 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.98 -48.57 81.16 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.8 mmt-85 -64.19 -38.59 91.6 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.12 0.873 . . . . 0.0 112.277 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.35 -49.69 75.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.738 0.699 . . . . 0.0 111.544 170.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -59.17 -28.9 67.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.294 1.038 . . . . 0.0 113.751 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.5 m -62.94 -55.75 23.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.563 1.145 . . . . 0.0 112.217 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.11 -25.81 66.39 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.382 -0.824 . . . . 0.0 113.132 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -56.81 -27.64 60.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -51.62 -41.98 61.68 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.813 1.245 . . . . 0.0 111.985 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.3 t -90.7 -44.81 9.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.489 1.116 . . . . 0.0 112.398 175.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.23 -21.27 65.02 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -175.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.1 m -68.1 -9.41 46.1 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 43.8 ttm -128.27 93.74 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.803 2.041 . . . . 0.0 110.148 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? . . . . . 0 C--O 1.255 1.361 0 C-N-CA 126.246 1.819 . . . . 0.0 112.443 178.672 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.507 0.194 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -63.0 169.45 3.31 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.651 1.18 . . . . 0.0 112.552 172.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -57.63 122.28 12.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.971 0.908 . . . . 0.0 111.627 172.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -75.59 80.2 2.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.564 1.145 . . . . 0.0 111.22 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -57.91 118.11 5.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.319 1.448 . . . . 0.0 111.315 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -65.34 97.06 0.26 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.944 1.298 . . . . 0.0 112.046 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -76.18 98.92 4.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.104 1.361 . . . . 0.0 111.315 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.5 m -57.11 148.77 20.99 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.907 1.283 . . . . 0.0 112.78 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 t -61.51 128.99 38.98 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.846 0.858 . . . . 0.0 111.43 175.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.04 -17.01 3.21 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.183 1.373 . . . . 0.0 114.952 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt 51.37 47.51 24.7 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.377 1.871 . . . . 0.0 113.39 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 t 52.56 76.92 0.48 Allowed Pre-proline 0 N--CA 1.481 1.082 0 C-N-CA 127.108 2.163 . . . . 0.0 111.73 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -77.14 -16.76 15.52 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.144 2.563 . . . . 0.0 114.29 -173.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 -49.99 0.23 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.884 1.674 . . . . 0.0 112.043 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.47 -4.35 40.27 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.653 1.596 . . . . 0.0 115.383 176.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.4 m -85.2 19.36 2.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.994 1.718 . . . . 0.0 114.351 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -55.93 -30.74 62.12 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.75 -1.219 . . . . 0.0 114.036 -174.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -74.76 -13.83 60.64 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.014 1.325 . . . . 0.0 114.134 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -89.44 -36.83 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.6 1.56 . . . . 0.0 110.026 172.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.74 -32.02 63.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.22 0.918 . . . . 0.0 112.699 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.35 69.89 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.657 1.183 . . . . 0.0 113.092 171.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.45 -44.26 91.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.14 -38.49 86.59 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.481 1.112 . . . . 0.0 112.412 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.2 60.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.712 1.142 . . . . 0.0 112.2 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.0 t -56.5 -54.31 47.31 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.258 1.023 . . . . 0.0 112.008 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.78 -44.24 90.62 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -60.67 -43.46 97.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.493 0.717 . . . . 0.0 112.621 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -56.91 -38.54 72.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.124 0.875 . . . . 0.0 112.284 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -66.95 -52.02 47.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.512 0.725 . . . . 0.0 111.928 172.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.62 72.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.94 -5.82 33.8 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.385 1.874 . . . . 0.0 114.368 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 8.77 59.08 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.061 1.315 . . . . 0.0 115.059 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -125.41 60.98 33.6 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 118.872 1.336 . . . . 0.0 112.66 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -66.19 -18.25 55.8 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.259 2.64 . . . . 0.0 114.008 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -51.53 -43.31 62.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.19 1.396 . . . . 0.0 112.63 172.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -67.18 -47.17 71.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.068 0.547 . . . . 0.0 111.433 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.92 75.24 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.939 0.896 . . . . 0.0 112.594 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -60.02 -33.12 71.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.114 0.965 . . . . 0.0 113.524 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.57 -5.75 35.66 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.229 1.412 . . . . 0.0 114.365 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -59.57 -56.0 27.39 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.638 1.108 . . . . 0.0 112.495 173.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.33 -18.72 63.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.935 0.894 . . . . 0.0 113.365 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.44 -1.76 51.12 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.51 1.524 . . . . 0.0 113.543 169.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m 59.28 36.16 23.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.483 1.913 . . . . 0.0 113.556 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -112.63 15.88 19.88 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.62 1.968 . . . . 0.0 113.358 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -51.05 84.63 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 169.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.52 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.044 2.496 . . . . 0.0 112.52 -177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -130.06 61.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.002 1.721 . . . . 0.0 112.121 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 49.02 79.13 0.08 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.858 2.063 . . . . 0.0 113.582 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.0 mt -56.69 -33.35 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.854 1.262 . . . . 0.0 112.114 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.38 -33.2 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 120.91 -1.118 . . . . 0.0 112.241 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.12 -49.03 73.81 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.426 -0.796 . . . . 0.0 112.372 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.2 m -67.01 -24.59 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -63.75 -27.85 69.48 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 172.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -89.82 -2.42 58.22 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.278 1.431 . . . . 0.0 113.796 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.51 -40.69 96.1 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.767 1.227 . . . . 0.0 114.017 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.6 t60 39.4 49.77 1.92 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.981 2.512 . . . . 0.0 114.78 176.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -78.37 69.27 4.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.079 1.352 . . . . 0.0 112.325 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 63.53 3.77 1.57 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 127.893 2.477 . . . . 0.0 115.934 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.79 165.4 16.03 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.403 1.481 . . . . 0.0 112.994 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -71.44 149.73 45.62 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.257 1.423 . . . . 0.0 112.607 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -63.91 -30.52 71.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.066 0.947 . . . . 0.0 113.296 174.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.17 -22.44 66.87 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.142 0.977 . . . . 0.0 113.484 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp -71.31 -20.48 62.18 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.193 1.397 . . . . 0.0 113.301 175.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.22 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.561 1.144 . . . . 0.0 112.403 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.65 -61.86 7.04 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.454 1.102 . . . . 0.0 112.629 170.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -64.55 -29.94 61.24 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.076 1.851 . . . . 0.0 113.233 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.2 tp -55.02 -51.23 66.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.922 1.237 . . . . 0.0 111.305 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 37.6 t -59.07 -54.73 43.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.267 0.627 . . . . 0.0 111.915 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.43 -55.9 27.83 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.862 1.265 . . . . 0.0 113.203 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -59.54 -40.18 86.36 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.081 0.855 . . . . 0.0 112.835 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.69 -51.27 67.86 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.349 0.66 . . . . 0.0 111.169 171.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.15 -36.04 70.26 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.714 1.606 . . . . 0.0 114.147 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.0 m -55.23 -62.02 1.95 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.697 1.199 . . . . 0.0 111.371 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.61 -19.68 61.42 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -56.11 -38.95 71.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.59 1.156 . . . . 0.0 112.269 171.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -43.87 78.49 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.328 1.451 . . . . 0.0 112.223 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 83.7 m -72.05 -52.07 18.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.21 1.404 . . . . 0.0 111.868 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.03 -25.89 65.67 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.044 1.337 . . . . 0.0 114.397 -175.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 t -58.54 -34.19 70.73 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.081 1.353 . . . . 0.0 113.153 173.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.6 ttt -94.34 78.64 3.92 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.206 1.402 . . . . 0.0 110.894 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.529 1.932 . . . . 0.0 112.402 -177.63 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -78.54 -30.51 47.02 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -79.02 125.35 29.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.788 1.235 . . . . 0.0 111.237 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -102.8 115.96 31.63 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.866 1.266 . . . . 0.0 111.582 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -62.72 159.61 15.95 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.259 1.023 . . . . 0.0 112.717 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -153.1 159.62 42.81 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.271 1.428 . . . . 0.0 111.594 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -122.39 -40.23 2.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.956 1.302 . . . . 0.0 112.999 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -70.06 160.04 32.74 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.479 1.112 . . . . 0.0 112.023 171.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t 50.33 32.13 6.0 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.851 1.66 . . . . 0.0 114.107 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.07 169.83 52.58 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.98 1.276 . . . . 0.0 113.976 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.4 tp -141.69 99.27 3.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.711 1.604 . . . . 0.0 110.73 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 t 43.72 74.33 0.8 Allowed Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 127.577 2.351 . . . . 0.0 112.961 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.78 101.0 0.86 Allowed 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.829 3.019 . . . . 0.0 112.268 -176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -65.25 128.94 37.9 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.265 1.426 . . . . 0.0 111.732 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.75 115.37 0.84 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.193 1.378 . . . . 0.0 113.116 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -72.58 82.75 1.12 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.186 0.994 . . . . 0.0 111.284 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -128.26 -44.41 1.42 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.672 1.589 . . . . 0.0 112.123 175.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -79.85 -33.14 40.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.817 0.847 . . . . 0.0 111.769 170.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.46 -35.35 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.464 1.506 . . . . 0.0 110.771 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.81 -54.6 40.13 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.951 1.301 . . . . 0.0 111.829 175.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.17 91.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.278 1.031 . . . . 0.0 112.312 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -59.03 -52.25 66.56 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.164 . . . . 0.0 112.006 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -57.38 -47.86 80.55 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.546 1.539 . . . . 0.0 112.1 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.79 84.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.63 0.772 . . . . 0.0 113.014 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.69 -53.36 59.26 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.618 1.167 . . . . 0.0 111.993 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.77 -39.89 94.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.161 0.985 . . . . 0.0 112.998 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -60.63 -48.27 82.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.609 0.763 . . . . 0.0 111.475 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.55 -37.66 70.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.27 0.941 . . . . 0.0 112.749 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -60.99 -58.98 6.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.637 0.775 . . . . 0.0 112.018 169.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.46 68.59 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.28 -10.78 59.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.162 2.185 . . . . 0.0 114.717 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.77 56.18 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.532 1.063 . . . . 0.0 114.936 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -127.9 58.69 34.59 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.175 1.39 . . . . 0.0 112.911 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.8 -22.28 63.79 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.098 2.532 . . . . 0.0 113.757 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.21 -51.76 68.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.643 0.777 . . . . 0.0 111.207 174.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.82 -38.91 76.43 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.729 0.695 . . . . 0.0 112.505 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.7 89.11 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.094 0.861 . . . . 0.0 112.791 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.6 -28.73 67.43 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.03 -7.33 21.87 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.53 -54.93 36.63 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.313 1.415 . . . . 0.0 111.326 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.84 -23.24 65.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.51 -5.86 58.39 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.794 1.238 . . . . 0.0 113.255 172.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t 56.82 52.97 8.72 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.427 2.291 . . . . 0.0 113.377 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -132.66 22.26 4.28 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.651 1.581 . . . . 0.0 113.748 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.96 -54.03 58.31 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.99 77.7 3.84 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 123.36 2.707 . . . . 0.0 112.389 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 pt -128.14 65.32 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.164 1.786 . . . . 0.0 111.863 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m120 52.71 70.27 0.59 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.309 1.844 . . . . 0.0 112.146 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.06 -39.27 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.09 0.956 . . . . 0.0 111.342 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.98 -33.76 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.266 1.426 . . . . 0.0 112.57 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.46 -54.57 13.64 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.207 -0.933 . . . . 0.0 111.653 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.06 -33.32 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -73.53 -12.8 60.9 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 174.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -99.77 1.22 42.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.045 1.338 . . . . 0.0 112.923 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -74.57 64.46 1.2 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 112.305 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -75.39 45.17 0.29 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.118 2.167 . . . . 0.0 113.779 -176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -73.84 67.14 1.19 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.75 2.02 . . . . 0.0 112.792 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 49.07 47.35 22.0 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.67 2.388 . . . . 0.0 113.892 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 pp -133.47 175.59 9.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.402 1.881 . . . . 0.0 113.533 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.37 86.02 0.42 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.301 1.84 . . . . 0.0 113.621 -173.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -55.38 -32.66 62.79 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.271 1.429 . . . . 0.0 113.314 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.84 -28.75 67.76 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.636 1.174 . . . . 0.0 113.515 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -16.11 59.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.056 1.342 . . . . 0.0 112.914 175.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.7 t -90.73 -21.72 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.995 1.318 . . . . 0.0 112.673 -170.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.23 -62.24 5.61 Favored Pre-proline 0 CA--C 1.549 0.912 0 O-C-N 120.926 -1.109 . . . . 0.0 112.628 166.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.53 -26.61 54.39 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 122.278 1.986 . . . . 0.0 112.978 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.94 -48.82 75.05 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.282 0.947 . . . . 0.0 111.844 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.05 -47.66 80.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.09 0.556 . . . . 0.0 111.865 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.96 -52.76 63.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.653 0.781 . . . . 0.0 111.87 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -65.01 -35.53 81.48 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.94 -33.73 76.72 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.173 0.897 . . . . 0.0 112.918 171.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -69.78 -30.32 67.85 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.87 . . . . 0.0 113.021 171.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -59.91 -54.3 47.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.296 1.039 . . . . 0.0 113.305 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.24 -24.95 64.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.182 0.993 . . . . 0.0 112.593 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.45 -29.61 64.35 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.76 1.224 . . . . 0.0 112.917 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.38 -52.89 19.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.209 1.804 . . . . 0.0 111.731 169.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 49.8 t -74.91 -53.36 9.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.064 1.345 . . . . 0.0 111.433 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.89 -22.68 64.55 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -172.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t -60.35 -35.83 76.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.258 1.423 . . . . 0.0 112.992 171.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.2 ttt -97.84 94.05 6.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.046 1.339 . . . . 0.0 111.352 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.0 pttt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.962 1.705 . . . . 0.0 113.941 175.149 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 110.721 -0.103 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 54.89 29.25 11.74 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.638 1.975 . . . . 0.0 115.204 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -79.49 157.23 27.51 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.426 -1.421 . . . . 0.0 112.333 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 52.75 17.51 0.85 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 127.136 2.174 . . . . 0.0 115.879 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -78.68 80.01 5.07 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.487 -1.383 . . . . 0.0 112.136 -176.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -149.66 157.27 43.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.781 1.633 . . . . 0.0 111.544 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -137.17 81.15 1.85 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.368 1.467 . . . . 0.0 111.335 -176.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 t -89.89 103.97 16.58 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.924 1.289 . . . . 0.0 111.13 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 t -138.88 118.42 12.95 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.111 1.365 . . . . 0.0 111.378 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.92 153.24 12.81 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 126.154 1.835 . . . . 0.0 114.056 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 tp -152.15 53.26 0.8 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.255 1.422 . . . . 0.0 111.464 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -148.23 85.74 6.25 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 124.473 1.109 . . . . 0.0 111.885 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.54 142.15 39.76 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.575 2.184 . . . . 0.0 110.959 171.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -148.27 142.05 25.68 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.871 1.269 . . . . 0.0 111.131 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.71 -27.7 73.66 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.694 0.664 . . . . 0.0 113.963 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.63 20.43 0.58 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.431 1.893 . . . . 0.0 114.425 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -52.57 -38.94 60.92 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.576 1.551 . . . . 0.0 113.826 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.41 -34.04 77.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.124 0.97 . . . . 0.0 113.044 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.19 -44.2 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 124.438 1.095 . . . . 0.0 109.311 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -55.84 -40.28 72.62 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.273 0.629 . . . . 0.0 112.154 171.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.78 91.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -61.82 -54.85 36.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.825 0.85 . . . . 0.0 111.862 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.22 -26.49 68.15 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.41 -58.29 8.17 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.339 0.972 . . . . 0.0 112.469 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m -59.98 -41.53 92.21 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.89 -47.17 84.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.626 0.77 . . . . 0.0 112.877 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.93 -42.0 97.28 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.609 0.764 . . . . 0.0 112.672 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.71 -35.42 66.08 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.856 0.753 . . . . 0.0 112.764 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -66.69 -52.18 47.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.649 0.78 . . . . 0.0 111.666 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.57 72.08 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.656 1.183 . . . . 0.0 113.457 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.97 -9.67 55.93 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.787 1.635 . . . . 0.0 114.666 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.65 7.23 56.89 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.037 1.303 . . . . 0.0 115.104 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -128.61 63.08 63.61 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 118.922 1.361 . . . . 0.0 112.567 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.39 -20.0 69.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.887 2.391 . . . . 0.0 113.172 177.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -58.31 -35.82 72.42 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.01 -45.95 89.97 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.13 1.332 . . . . 0.0 111.664 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.34 -32.5 66.79 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -63.31 -30.42 71.56 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.11 -11.14 60.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.828 1.195 . . . . 0.0 112.998 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -63.23 -49.82 72.64 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.58 1.082 . . . . 0.0 111.566 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.37 -27.41 65.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.869 0.868 . . . . 0.0 112.623 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.17 -5.84 52.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.503 1.521 . . . . 0.0 113.717 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m 59.66 38.65 21.85 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.812 2.045 . . . . 0.0 114.215 -176.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -125.16 31.78 5.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.915 1.686 . . . . 0.0 113.24 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.97 -45.35 86.83 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 163.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -79.05 76.61 4.46 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.023 2.482 . . . . 0.0 112.212 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.8 58.65 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.71 1.604 . . . . 0.0 112.266 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.7 m120 54.23 76.6 0.23 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.311 1.845 . . . . 0.0 112.207 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.58 -43.39 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.452 0.701 . . . . 0.0 111.079 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.5 t -59.41 -29.7 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.686 1.194 . . . . 0.0 113.201 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.93 -57.64 3.91 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.865 0.757 . . . . 0.0 111.602 171.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.5 m -68.82 -33.98 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -172.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -64.81 -26.11 68.2 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.212 1.005 . . . . 0.0 112.993 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -83.37 5.92 21.78 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.905 1.682 . . . . 0.0 113.495 -175.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -71.42 69.84 0.6 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.881 1.672 . . . . 0.0 112.286 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -63.37 -17.4 62.58 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.498 1.919 . . . . 0.0 113.888 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -55.86 104.48 0.14 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.601 1.56 . . . . 0.0 111.883 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 62.13 28.85 17.36 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.782 2.033 . . . . 0.0 115.198 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -135.23 125.02 25.41 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.149 1.38 . . . . 0.0 113.096 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.58 135.42 57.64 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.981 1.312 . . . . 0.0 112.108 171.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.24 -31.38 69.02 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.44 -0.787 . . . . 0.0 112.733 176.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -68.07 -21.89 64.96 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.5 mt -80.77 -16.28 54.23 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.125 0.97 . . . . 0.0 113.459 172.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.75 -33.43 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.535 1.134 . . . . 0.0 111.781 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.27 -68.25 0.73 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.014 1.326 . . . . 0.0 112.902 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -62.02 -31.89 84.01 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 121.621 1.615 . . . . 0.0 112.543 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.1 tp -54.58 -59.41 4.74 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.175 0.99 . . . . 0.0 111.777 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 p -63.48 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.98 -52.47 65.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.826 1.193 . . . . 0.0 112.317 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -65.71 -34.31 77.9 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.41 -43.65 85.17 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.89 0.768 . . . . 0.0 112.222 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -62.13 -44.19 97.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.149 1.38 . . . . 0.0 114.064 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t -62.2 -35.59 79.32 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.76 1.164 . . . . 0.0 113.014 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.62 -26.35 57.7 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.01 -37.1 78.71 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.701 1.137 . . . . 0.0 112.545 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -55.88 -53.68 53.82 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.295 1.038 . . . . 0.0 111.384 171.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.4 m -60.04 -48.41 81.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.658 1.183 . . . . 0.0 112.369 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.01 -23.13 63.08 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.0 t -66.01 -44.85 83.55 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.368 1.067 . . . . 0.0 112.221 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 40.0 mtp -80.73 165.6 21.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.011 0.924 . . . . 0.0 112.118 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.014 1.326 . . . . 0.0 111.811 177.378 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.01 -32.88 64.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.413 -0.804 . . . . 0.0 112.455 169.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.62 83.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.526 1.13 . . . . 0.0 113.814 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -63.5 -51.5 65.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.663 1.185 . . . . 0.0 111.02 174.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.3 -32.26 72.97 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.341 1.056 . . . . 0.0 113.048 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -58.56 8.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.545 1.138 . . . . 0.0 112.773 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.84 -52.33 64.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.414 0.686 . . . . 0.0 111.781 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -39.79 95.26 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -62.16 -44.05 97.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.492 0.717 . . . . 0.0 112.168 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -45.75 73.89 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.41 1.005 . . . . 0.0 111.581 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -62.5 -52.53 63.1 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.543 0.737 . . . . 0.0 111.893 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.32 -44.87 80.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.857 1.263 . . . . 0.0 113.237 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.66 -7.35 14.82 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.98 1.712 . . . . 0.0 114.678 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.45 10.93 43.09 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.103 1.335 . . . . 0.0 114.948 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -126.51 58.87 29.27 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 112.53 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.32 -20.54 48.7 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.122 2.548 . . . . 0.0 113.92 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -53.89 -48.55 69.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.351 1.06 . . . . 0.0 111.492 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -59.02 -49.89 76.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.678 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.58 -50.49 67.87 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 113.248 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -59.93 -31.4 69.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.031 0.932 . . . . 0.0 112.961 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -69.51 -4.4 18.72 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.64 -61.46 2.57 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.149 1.341 . . . . 0.0 112.452 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -70.9 -16.78 62.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.38 -0.07 35.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.777 1.231 . . . . 0.0 113.49 167.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.5 m 60.86 37.16 18.7 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.703 2.001 . . . . 0.0 113.79 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -121.38 15.54 11.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.25 1.82 . . . . 0.0 113.476 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -58.88 -53.47 66.08 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 169.71 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.61 80.79 2.69 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.089 2.526 . . . . 0.0 112.077 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.0 pt -126.62 57.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.022 1.729 . . . . 0.0 111.311 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 53.64 69.45 0.71 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.846 2.058 . . . . 0.0 112.968 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.94 -51.27 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.845 1.658 . . . . 0.0 111.467 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.474 0.775 0 C-N-CA 124.545 1.138 . . . . 0.0 113.543 178.751 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.55 0.948 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.87 -28.58 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.803 1.241 . . . . 0.0 112.419 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.45 -59.13 14.84 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.835 -1.079 . . . . 0.0 113.59 173.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.58 -33.19 46.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.783 1.655 . . . . 0.0 112.73 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.87 -32.19 69.26 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.458 1.026 . . . . 0.0 112.385 170.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.4 -53.91 7.09 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.166 -0.958 . . . . 0.0 112.057 170.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -60.84 -46.96 88.53 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.322 1.449 . . . . 0.0 114.043 -174.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -67.11 -32.32 73.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.657 0.783 . . . . 0.0 112.626 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 45' ' ' PHE . 3.2 mm? -66.21 -50.73 62.82 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.561 0.744 . . . . 0.0 110.95 168.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -57.78 -44.88 86.54 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 t -61.27 -35.81 78.31 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.353 0.979 . . . . 0.0 113.085 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' CE2' ' A' ' 45' ' ' PHE . 61.0 mt -81.95 -25.12 35.12 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -55.28 -43.27 74.58 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.947 1.299 . . . . 0.0 112.169 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -52.79 -47.07 67.84 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.144 1.777 . . . . 0.0 112.593 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.2 m -75.62 -35.6 60.46 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.067 1.347 . . . . 0.0 113.038 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.031 1.332 . . . . 0.0 113.02 179.07 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -54.6 -47.58 73.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.3 1.44 . . . . 0.0 112.524 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.17 81.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.999 1.32 . . . . 0.0 113.065 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.23 78.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.397 1.079 . . . . 0.0 111.064 177.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -61.44 -37.86 85.08 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.48 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.488 1.04 . . . . 0.0 112.299 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.2 t -60.33 -52.72 64.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.061 0.944 . . . . 0.0 112.289 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.94 -40.66 87.61 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.126 0.971 . . . . 0.0 113.166 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -61.51 -42.77 99.3 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.429 -0.794 . . . . 0.0 112.155 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.17 -29.31 63.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.796 0.838 . . . . 0.0 113.146 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -64.56 -59.0 4.8 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.875 0.87 . . . . 0.0 110.919 171.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.22 -29.73 70.0 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.231 1.412 . . . . 0.0 113.614 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.87 63.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.055 1.742 . . . . 0.0 114.617 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.96 11.86 64.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.468 1.032 . . . . 0.0 114.542 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -128.37 61.71 55.26 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 118.738 1.269 . . . . 0.0 112.281 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.68 -16.67 42.41 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.421 2.747 . . . . 0.0 113.923 -176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.016 1.326 . . . . 0.0 111.858 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -55.36 -48.94 73.49 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.875 -0.516 . . . . 0.0 111.583 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.57 96.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.005 0.922 . . . . 0.0 113.359 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -58.06 -32.07 67.67 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.384 -0.822 . . . . 0.0 113.164 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 mp -75.34 -1.82 25.51 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.654 1.582 . . . . 0.0 114.368 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.57 -58.96 6.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.888 1.222 . . . . 0.0 112.958 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.95 -22.25 66.97 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.23 -3.67 50.09 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.858 1.263 . . . . 0.0 113.315 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t 58.35 31.22 20.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.316 2.246 . . . . 0.0 113.699 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.7 16.23 22.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.219 1.807 . . . . 0.0 113.277 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.67 -56.7 33.11 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 120.762 -1.211 . . . . 0.0 113.716 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.72 84.02 1.49 Allowed 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.076 2.517 . . . . 0.0 112.662 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 pt -130.61 66.9 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.517 1.527 . . . . 0.0 112.024 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 49.53 60.62 3.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.285 1.434 . . . . 0.0 112.193 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.02 -36.73 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.839 1.256 . . . . 0.0 111.199 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 112.75 177.699 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.84 -33.19 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.747 1.219 . . . . 0.0 112.398 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -55.57 -63.12 3.44 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.767 1.227 . . . . 0.0 112.413 171.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.29 -28.04 40.23 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.693 2.262 . . . . 0.0 113.634 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.6 tp -53.52 -58.44 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.163 1.347 . . . . 0.0 110.786 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.91 -47.26 85.61 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.996 0.518 . . . . 0.0 112.043 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -56.4 -59.05 5.53 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -61.02 -39.31 89.28 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.129 0.877 . . . . 0.0 112.89 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -58.46 -54.86 42.27 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -56.03 -40.51 73.55 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.495 1.118 . . . . 0.0 113.893 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.3 m -54.26 -54.79 35.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.776 1.231 . . . . 0.0 112.198 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.15 -25.67 61.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.92 -31.42 68.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -52.05 -42.83 63.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.935 1.294 . . . . 0.0 112.395 173.197 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -84.23 -37.95 21.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.177 0.991 . . . . 0.0 112.789 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -176.498 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 119.37 -0.348 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.37 -45.2 84.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 171.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.12 87.73 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.967 0.907 . . . . 0.0 112.109 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.57 -51.7 68.8 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.472 1.109 . . . . 0.0 112.004 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.78 -47.97 78.94 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.24 -48.48 80.27 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.728 0.695 . . . . 0.0 112.167 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -58.27 -53.0 63.22 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.406 1.082 . . . . 0.0 111.99 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.76 -45.07 95.47 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.737 1.215 . . . . 0.0 113.118 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -62.24 -45.11 94.77 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.107 0.963 . . . . 0.0 112.294 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.61 -42.11 78.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.886 0.766 . . . . 0.0 111.81 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -62.99 -53.36 55.2 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.066 0.946 . . . . 0.0 112.391 169.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.51 68.95 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.7 -7.41 44.44 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.387 1.875 . . . . 0.0 114.36 174.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.91 58.15 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.295 1.426 . . . . 0.0 114.708 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -126.98 60.97 44.6 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 118.859 1.33 . . . . 0.0 112.821 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.77 -14.93 47.03 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.397 2.731 . . . . 0.0 113.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -51.07 -41.29 59.83 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.394 1.078 . . . . 0.0 112.755 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -68.35 -51.65 42.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.393 0.677 . . . . 0.0 111.025 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.97 63.86 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.658 1.183 . . . . 0.0 113.123 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -65.08 -20.93 66.72 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -84.13 -0.55 52.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.075 1.35 . . . . 0.0 114.179 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.63 -52.34 65.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.255 0.934 . . . . 0.0 112.182 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.52 -18.5 64.39 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.93 -2.61 58.71 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.011 1.324 . . . . 0.0 113.117 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.5 m 62.17 21.91 12.77 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 127.801 2.44 . . . . 0.0 115.208 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -90.21 13.73 14.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.47 -53.28 67.73 Favored Pre-proline 0 CA--C 1.552 1.043 0 O-C-N 120.479 -1.388 . . . . 0.0 114.594 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -76.35 80.02 2.83 Favored 'Trans proline' 0 CA--C 1.547 1.158 0 C-N-CA 123.615 2.877 . . . . 0.0 112.384 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 pt -129.99 55.61 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.858 1.663 . . . . 0.0 112.267 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 54.7 76.95 0.22 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.121 1.768 . . . . 0.0 112.068 -172.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -54.19 -39.09 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.927 0.891 . . . . 0.0 111.134 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.464 1.106 . . . . 0.0 112.193 174.773 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.1 mt . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.1 -40.33 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.307 1.043 . . . . 0.0 112.145 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -56.64 -64.39 2.51 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 124.614 1.166 . . . . 0.0 113.269 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.32 -32.54 41.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.264 1.976 . . . . 0.0 113.175 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.3 tp -53.53 -56.45 16.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.939 1.245 . . . . 0.0 110.757 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -54.65 -51.18 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.775 0.83 . . . . 0.0 111.841 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -58.54 -49.76 76.25 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.217 1.007 . . . . 0.0 113.36 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -65.92 -42.85 89.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.729 0.812 . . . . 0.0 112.465 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.69 -51.98 66.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.767 0.712 . . . . 0.0 111.454 171.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -65.34 -8.98 20.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.143 1.777 . . . . 0.0 114.347 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.3 m -87.86 -59.22 2.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.588 1.155 . . . . 0.0 110.547 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.77 -31.66 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -59.91 -30.91 69.35 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.337 0.972 . . . . 0.0 112.794 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.78 -44.09 81.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.509 1.923 . . . . 0.0 111.77 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.42 -46.76 46.65 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.623 1.169 . . . . 0.0 111.735 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.273 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.5 mt . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.48 -43.62 65.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.635 1.107 . . . . 0.0 112.362 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.44 -43.85 65.92 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.04 -49.13 77.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.782 0.833 . . . . 0.0 111.813 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -56.26 -52.17 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.613 1.565 . . . . 0.0 111.629 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.32 68.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -70.55 -52.09 24.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 112.703 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.09 -40.89 97.4 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.662 1.185 . . . . 0.0 113.056 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -58.03 -43.53 86.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.135 1.374 . . . . 0.0 112.191 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.89 -44.61 86.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.653 0.781 . . . . 0.0 112.411 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -61.62 -50.17 73.65 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.348 1.059 . . . . 0.0 111.887 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.68 72.03 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.58 62.81 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.103 1.761 . . . . 0.0 114.392 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.0 2.72 28.32 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.998 1.285 . . . . 0.0 115.47 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -123.78 63.72 29.72 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 119.097 1.449 . . . . 0.0 112.273 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.12 -16.55 52.51 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.54 2.826 . . . . 0.0 113.733 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -50.74 -42.82 57.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.867 1.267 . . . . 0.0 112.53 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.99 -45.36 61.27 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.477 0.58 . . . . 0.0 111.616 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.02 70.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.993 0.917 . . . . 0.0 112.435 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -61.89 -19.05 62.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -84.75 -1.46 56.31 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.537 1.135 . . . . 0.0 113.852 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.27 -60.38 3.83 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.447 1.022 . . . . 0.0 112.379 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.82 -25.46 66.45 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.713 0.805 . . . . 0.0 112.908 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.03 -6.42 49.31 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.642 1.577 . . . . 0.0 113.755 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 t 61.9 40.2 12.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -125.74 25.87 6.8 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.786 1.634 . . . . 0.0 112.934 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -52.4 73.42 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.518 1.127 . . . . 0.0 113.975 167.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.57 84.41 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.882 2.388 . . . . 0.0 111.928 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 pt -132.51 79.79 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.617 1.567 . . . . 0.0 111.165 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m120 51.2 64.12 1.97 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.474 1.51 . . . . 0.0 112.304 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.83 -27.78 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.087 -1.008 . . . . 0.0 111.917 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.48 1.042 0 O-C-N 120.684 -1.26 . . . . 0.0 112.433 173.163 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.58 -29.03 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.153 0.981 . . . . 0.0 112.31 -176.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 -64.24 1.79 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.454 1.102 . . . . 0.0 112.498 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -65.36 -31.06 53.08 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 122.753 2.302 . . . . 0.0 113.516 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.3 -24.8 66.68 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.656 1.116 . . . . 0.0 113.281 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -87.38 -53.62 4.73 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.009 -1.057 . . . . 0.0 111.428 166.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -59.81 -57.15 14.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.288 1.835 . . . . 0.0 113.286 -171.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -61.25 -37.18 82.17 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.155 1.382 . . . . 0.0 112.976 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.65 -51.36 68.8 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.956 1.302 . . . . 0.0 110.04 173.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -64.47 -27.95 69.33 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -58.77 -55.16 38.71 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.006 -1.059 . . . . 0.0 111.229 170.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.16 -29.89 68.88 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -52.84 -36.88 59.43 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.321 0.964 . . . . 0.0 113.153 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -57.21 -41.23 79.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.0 1.32 . . . . 0.0 112.276 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.11 -23.51 21.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.356 1.462 . . . . 0.0 113.609 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 124.752 1.221 . . . . 0.0 113.886 177.154 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 119.868 -0.111 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.51 -52.29 65.29 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.434 0.693 . . . . 0.0 111.125 171.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.35 86.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.163 0.985 . . . . 0.0 112.679 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -55.24 36.47 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.934 1.293 . . . . 0.0 111.805 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.88 -43.4 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.174 0.989 . . . . 0.0 111.975 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.31 43.03 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -68.71 -24.02 64.43 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.48 -39.07 39.39 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.134 1.373 . . . . 0.0 112.374 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -65.83 -46.76 77.36 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.231 -0.918 . . . . 0.0 112.433 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.23 -45.44 79.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.999 0.919 . . . . 0.0 112.946 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -66.8 -39.72 87.83 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 174.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.92 77.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.301 1.04 . . . . 0.0 112.927 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.36 86.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.117 1.767 . . . . 0.0 111.954 175.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 135.42 8.59 1.73 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.747 1.165 . . . . 0.0 115.018 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -124.89 64.27 42.42 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.952 1.301 . . . . 0.0 111.671 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.89 -21.14 64.46 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.294 2.663 . . . . 0.0 113.184 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -51.95 -44.2 63.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.772 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -62.88 -49.62 74.12 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.666 0.666 . . . . 0.0 111.366 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.06 -44.54 74.85 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.698 0.799 . . . . 0.0 112.886 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -62.11 -28.61 69.75 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.77 -3.56 26.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.516 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.15 -49.36 72.42 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.151 1.341 . . . . 0.0 112.936 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.54 -28.57 68.65 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.599 -0.688 . . . . 0.0 112.768 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.85 -6.64 56.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.524 1.53 . . . . 0.0 113.564 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t 52.09 55.97 8.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.178 2.191 . . . . 0.0 113.353 -172.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -121.67 15.47 11.06 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.726 1.611 . . . . 0.0 113.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.95 -52.81 70.94 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.52 78.01 3.44 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.124 2.55 . . . . 0.0 112.149 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 pt -126.09 73.69 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.024 1.73 . . . . 0.0 111.593 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 51.24 65.64 1.42 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.819 1.648 . . . . 0.0 112.572 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.2 mt -50.61 -46.74 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.609 1.164 . . . . 0.0 111.75 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 124.482 1.113 . . . . 0.0 113.563 177.103 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.06 -19.09 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 125.054 1.341 . . . . 0.0 112.509 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -61.67 -60.38 10.53 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.718 -1.239 . . . . 0.0 113.55 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.73 -26.4 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.151 1.901 . . . . 0.0 113.299 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.68 -45.12 81.91 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.626 1.17 . . . . 0.0 112.841 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.5 p -63.57 -33.0 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.829 1.195 . . . . 0.0 113.271 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -61.67 -55.28 32.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.613 0.765 . . . . 0.0 110.582 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -58.15 -37.74 75.23 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.896 0.878 . . . . 0.0 113.248 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.68 -51.42 69.85 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.387 0.675 . . . . 0.0 111.65 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.87 -25.42 68.28 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -59.78 -55.58 32.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.136 -0.978 . . . . 0.0 112.077 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.42 -23.8 63.75 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -54.64 -31.05 56.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.305 0.957 . . . . 0.0 113.007 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -50.76 -52.82 37.08 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.701 1.2 . . . . 0.0 111.817 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.36 -36.04 22.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.384 1.074 . . . . 0.0 112.932 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.6 -30.18 29.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.401 1.08 . . . . 0.0 113.105 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.95 85.93 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.497 1.044 . . . . 0.0 113.382 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -66.69 -50.69 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.14 0.976 . . . . 0.0 110.594 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -58.65 -40.58 83.87 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.963 0.905 . . . . 0.0 112.538 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.37 47.93 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.546 1.138 . . . . 0.0 112.487 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.64 -50.46 68.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.084 0.953 . . . . 0.0 111.683 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.0 -33.94 72.67 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -70.55 -44.31 67.71 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.026 -1.046 . . . . 0.0 112.407 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.67 -46.24 81.24 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.194 0.906 . . . . 0.0 112.194 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -44.56 94.35 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.115 0.966 . . . . 0.0 113.274 171.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.32 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.78 -9.45 57.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.5 6.53 41.18 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.264 1.411 . . . . 0.0 115.099 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -124.88 66.15 48.44 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.042 1.421 . . . . 0.0 112.357 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.15 -22.02 47.73 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.358 2.705 . . . . 0.0 113.436 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -56.04 -45.24 79.25 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.492 1.117 . . . . 0.0 111.812 175.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -57.83 -52.8 63.96 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.457 0.571 . . . . 0.0 111.322 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.9 70.18 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.008 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -60.48 -35.34 75.67 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.56 -0.39 8.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.71 -53.35 58.47 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.618 1.099 . . . . 0.0 112.377 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.16 -21.72 63.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.517 0.727 . . . . 0.0 112.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -78.2 -5.68 52.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 113.435 169.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 m 61.68 29.43 18.12 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.003 2.121 . . . . 0.0 114.75 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -103.76 21.67 15.83 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.756 1.222 . . . . 0.0 113.856 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -54.04 33.3 Favored Pre-proline 0 CA--C 1.551 1.006 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 169.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -76.11 78.84 3.08 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.184 2.589 . . . . 0.0 112.196 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -131.68 48.16 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.021 1.728 . . . . 0.0 112.444 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 58.0 84.81 0.1 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.382 1.873 . . . . 0.0 112.559 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.29 -34.79 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.038 0.935 . . . . 0.0 111.694 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.479 0.985 0 C-N-CA 124.808 1.243 . . . . 0.0 112.342 177.151 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.65 -35.54 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 112.061 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.08 -62.55 2.7 Favored Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.0 -40.2 28.55 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.595 2.197 . . . . 0.0 112.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 tt -54.86 -48.98 72.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.278 1.031 . . . . 0.0 111.783 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.65 3.56 2.4 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.871 1.668 . . . . 0.0 114.335 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -47.92 3.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.34 1.456 . . . . 0.0 111.287 168.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -60.39 -39.42 87.25 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.292 1.037 . . . . 0.0 112.707 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.79 -46.41 68.78 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.774 -0.579 . . . . 0.0 112.108 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -70.95 -2.31 14.8 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -103.31 -40.8 6.25 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.802 -1.187 . . . . 0.0 112.606 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.45 -37.59 65.76 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.135 -0.978 . . . . 0.0 113.112 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -58.23 -36.46 73.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.409 1.004 . . . . 0.0 113.278 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -62.39 -43.91 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.889 2.076 . . . . 0.0 111.471 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.1 t -69.71 -38.72 77.02 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.525 1.13 . . . . 0.0 112.749 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -178.773 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 119.331 -0.366 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.03 -41.5 71.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.65 0.659 . . . . 0.0 112.126 174.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.75 46.24 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.986 0.914 . . . . 0.0 113.438 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.27 -45.69 87.42 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.738 1.215 . . . . 0.0 111.75 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -54.06 -45.78 71.77 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.727 1.211 . . . . 0.0 112.006 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.11 67.06 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.148 0.885 . . . . 0.0 112.961 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -62.09 -43.23 99.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.64 -43.3 94.13 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.681 0.793 . . . . 0.0 112.282 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.68 -41.47 99.12 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.26 1.424 . . . . 0.0 112.551 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.76 -41.35 77.44 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.553 1.141 . . . . 0.0 113.116 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -61.0 -52.81 63.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.751 1.22 . . . . 0.0 111.375 172.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.94 75.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.242 1.017 . . . . 0.0 113.672 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.52 -8.23 49.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.13 1.772 . . . . 0.0 114.1 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.29 15.6 62.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.584 1.088 . . . . 0.0 114.713 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -126.74 61.28 44.47 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.05 1.34 . . . . 0.0 112.342 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.93 -19.63 39.89 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.245 2.63 . . . . 0.0 113.369 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -57.31 -46.27 83.36 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.095 0.958 . . . . 0.0 111.637 175.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -58.45 -41.48 85.23 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.748 0.704 . . . . 0.0 112.135 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.84 -36.24 74.23 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.552 1.069 . . . . 0.0 112.999 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -67.02 -29.24 69.0 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.72 -18.5 65.37 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.327 0.967 . . . . 0.0 113.37 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.25 -44.89 93.89 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.689 1.131 . . . . 0.0 112.402 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.63 -14.43 62.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.679 1.192 . . . . 0.0 113.417 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.37 7.07 31.01 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.131 1.772 . . . . 0.0 112.609 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . 0.256 84.3 p 49.89 23.56 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.961 2.904 . . . . 0.0 115.883 -172.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -83.6 6.41 20.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.472 1.909 . . . . 0.0 114.276 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -52.52 60.95 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.75 81.57 2.64 Favored 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 123.179 2.586 . . . . 0.0 112.441 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 pt -128.24 65.05 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.963 1.705 . . . . 0.0 112.037 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 51.16 71.78 0.41 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.969 1.708 . . . . 0.0 112.476 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.3 mt -52.41 -42.61 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.296 1.038 . . . . 0.0 111.648 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 124.474 1.11 . . . . 0.0 111.789 176.881 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.18 -14.5 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 124.425 1.09 . . . . 0.0 112.279 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.46 -64.69 2.11 Favored Pre-proline 0 CA--C 1.55 0.947 0 O-C-N 120.671 -1.268 . . . . 0.0 112.749 162.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.66 -17.61 57.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.975 2.45 . . . . 0.0 114.224 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.3 tp -51.68 -42.88 62.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.292 1.037 . . . . 0.0 111.72 167.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.77 -41.61 74.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.216 1.006 . . . . 0.0 112.473 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.1 mmt-85 -63.26 -52.14 63.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.381 1.472 . . . . 0.0 111.383 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -62.56 -42.56 99.62 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.907 0.883 . . . . 0.0 112.842 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.76 -48.48 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.151 0.58 . . . . 0.0 112.012 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.56 -31.65 72.88 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.6 m -58.73 -50.63 73.21 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.078 0.951 . . . . 0.0 111.289 175.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.14 -24.78 61.51 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -56.91 -35.69 69.31 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.721 1.146 . . . . 0.0 112.573 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -53.7 -49.65 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.372 1.069 . . . . 0.0 111.577 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.73 -40.22 66.27 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.036 1.334 . . . . 0.0 112.815 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 124.084 0.954 . . . . 0.0 113.159 -179.172 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.733 -0.099 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -29.57 58.54 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.365 -0.834 . . . . 0.0 112.444 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -47.76 74.18 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.81 -49.15 77.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.294 1.038 . . . . 0.0 110.951 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -55.18 -49.21 72.47 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.397 0.679 . . . . 0.0 112.185 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.51 73.19 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.918 0.887 . . . . 0.0 113.037 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.0 m -56.15 -49.49 73.79 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.386 0.674 . . . . 0.0 112.112 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.61 -43.04 98.03 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.386 1.074 . . . . 0.0 113.022 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.82 -45.23 90.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.835 1.254 . . . . 0.0 112.357 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.02 -51.9 66.13 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.199 1.0 . . . . 0.0 112.123 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -62.72 -42.97 99.92 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.14 82.81 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.89 -7.45 45.76 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.149 1.78 . . . . 0.0 113.964 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.39 11.63 55.49 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.095 1.331 . . . . 0.0 114.736 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -124.5 59.48 20.54 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.303 1.441 . . . . 0.0 112.614 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.5 -20.18 48.01 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.287 2.658 . . . . 0.0 113.386 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -45.39 64.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.544 1.538 . . . . 0.0 112.101 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -62.17 -53.16 59.28 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.769 174.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.93 69.62 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 113.345 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -63.33 -20.23 65.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -88.54 -0.29 57.08 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.505 1.522 . . . . 0.0 114.251 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -60.64 -53.38 58.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.668 1.122 . . . . 0.0 112.339 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.76 -17.38 64.03 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -84.43 -5.11 59.25 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.13 1.372 . . . . 0.0 113.005 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 m 61.4 16.73 7.72 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 128.315 2.646 . . . . 0.0 115.272 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -88.34 20.65 3.19 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.45 1.5 . . . . 0.0 114.045 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.54 -57.66 21.25 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.53 79.39 3.34 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 122.993 2.462 . . . . 0.0 112.06 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 pt -123.78 61.86 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.855 1.662 . . . . 0.0 111.646 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.69 74.22 0.36 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.244 1.817 . . . . 0.0 111.845 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -53.59 -39.17 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.659 1.184 . . . . 0.0 111.515 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.475 0.815 0 C-N-CA 125.059 1.344 . . . . 0.0 112.293 175.497 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -66.59 -39.37 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.752 1.221 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.0 -59.22 11.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.23 -30.19 31.32 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.149 1.899 . . . . 0.0 113.11 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.09 -51.38 68.11 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.697 1.135 . . . . 0.0 111.389 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -53.74 -43.71 69.34 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.324 0.65 . . . . 0.0 112.69 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -61.53 -55.31 32.39 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.741 0.816 . . . . 0.0 112.189 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -63.03 -30.21 71.42 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.71 -56.64 7.47 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.494 0.718 . . . . 0.0 111.397 167.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.54 -39.0 78.97 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 t -63.14 -30.64 71.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.312 0.96 . . . . 0.0 113.014 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -80.17 -24.8 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -55.76 -37.55 68.68 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.842 1.201 . . . . 0.0 112.23 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -53.59 -40.87 66.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.165 1.786 . . . . 0.0 112.869 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.4 m -93.16 -24.41 18.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.063 1.345 . . . . 0.0 113.524 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 124.614 1.166 . . . . 0.0 112.536 175.292 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.766 0.317 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.57 -27.76 58.61 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.557 1.143 . . . . 0.0 113.773 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.84 58.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.009 0.822 . . . . 0.0 112.11 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -55.77 -52.85 62.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.569 1.547 . . . . 0.0 110.805 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.58 -40.44 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -55.33 36.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.117 1.326 . . . . 0.0 112.036 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.0 m -56.21 -50.87 70.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.206 0.603 . . . . 0.0 112.26 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.99 -42.22 98.91 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.689 0.796 . . . . 0.0 112.959 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.542 0.737 . . . . 0.0 112.622 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.39 -38.63 74.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.962 0.801 . . . . 0.0 112.398 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -65.62 -48.67 71.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.579 0.751 . . . . 0.0 111.28 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.13 76.73 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.548 1.139 . . . . 0.0 113.433 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -7.67 45.08 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.9 1.68 . . . . 0.0 114.336 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 13.08 67.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.878 1.228 . . . . 0.0 114.719 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -125.93 59.83 30.89 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.315 1.446 . . . . 0.0 112.635 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.09 -18.59 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.243 2.628 . . . . 0.0 113.488 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -54.81 -45.41 74.39 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.645 1.178 . . . . 0.0 111.885 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -62.02 -44.09 97.45 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.995 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.04 84.92 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.577 1.08 . . . . 0.0 112.712 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -61.04 -20.9 63.08 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.2 mt -68.37 -15.73 63.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.552 1.069 . . . . 0.0 113.542 173.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.14 -56.76 9.79 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.862 1.21 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 -24.17 65.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.162 0.985 . . . . 0.0 112.857 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -83.59 -4.15 58.32 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.889 1.275 . . . . 0.0 113.738 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.5 m 62.11 37.64 14.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.017 2.127 . . . . 0.0 114.643 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -122.9 21.4 9.9 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.683 1.593 . . . . 0.0 114.336 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.8 -50.55 87.37 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 120.449 -1.407 . . . . 0.0 114.436 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -77.55 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.159 2.573 . . . . 0.0 112.362 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.6 pt -129.65 50.79 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.024 1.73 . . . . 0.0 112.148 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 51.93 75.77 0.2 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.25 1.82 . . . . 0.0 112.705 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.17 -31.89 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.223 1.009 . . . . 0.0 111.367 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 124.883 1.273 . . . . 0.0 112.251 178.172 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.38 -27.2 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.793 1.237 . . . . 0.0 112.799 -176.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.11 -60.7 8.82 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.178 0.991 . . . . 0.0 112.583 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -66.2 -28.23 48.21 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.288 1.992 . . . . 0.0 113.764 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -54.19 -53.71 49.69 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.1 1.318 . . . . 0.0 111.043 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.02 -49.45 75.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 122.817 0.447 . . . . 0.0 112.038 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -55.18 -58.43 7.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.499 0.719 . . . . 0.0 112.401 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 -58.75 -38.14 77.78 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.732 0.813 . . . . 0.0 112.962 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.11 -51.89 61.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.402 0.681 . . . . 0.0 111.549 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -56.93 -38.14 72.49 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.829 1.252 . . . . 0.0 113.761 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -51.78 -57.67 8.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.449 1.5 . . . . 0.0 111.889 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.73 -27.97 61.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.032 0.933 . . . . 0.0 113.105 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -56.97 -36.82 70.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -49.45 -48.78 47.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.765 1.226 . . . . 0.0 112.17 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 48.4 t -69.83 -54.17 14.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.7 1.2 . . . . 0.0 111.893 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.472 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.85 -42.56 65.33 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.339 1.427 . . . . 0.0 112.755 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.8 -48.29 66.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.662 0.785 . . . . 0.0 112.78 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.07 -35.97 81.97 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.81 -43.03 99.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.345 1.058 . . . . 0.0 111.525 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.0 -59.19 5.25 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.469 1.031 . . . . 0.0 112.465 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.6 p -62.32 -41.13 98.3 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.039 0.836 . . . . 0.0 113.126 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.29 -38.92 93.04 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.917 -1.114 . . . . 0.0 112.995 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.64 -51.64 64.3 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.069 0.948 . . . . 0.0 112.246 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.95 -36.05 78.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.778 1.172 . . . . 0.0 112.327 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.46 -53.23 60.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.685 1.194 . . . . 0.0 111.627 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.72 78.99 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -26.38 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.51 1.524 . . . . 0.0 113.904 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.59 6.5 9.48 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.746 1.165 . . . . 0.0 115.483 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -125.5 64.27 47.54 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 119.053 1.426 . . . . 0.0 111.948 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -66.38 -23.97 50.59 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.362 2.708 . . . . 0.0 113.339 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -52.5 -44.64 65.82 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.476 1.511 . . . . 0.0 112.897 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.91 -49.0 64.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.91 -47.83 70.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.233 1.013 . . . . 0.0 113.216 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.7 -25.58 66.51 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.35 -0.98 24.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 114.244 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -60.2 -60.78 3.28 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.721 1.146 . . . . 0.0 112.761 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.19 -23.37 63.91 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.67 -8.0 51.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.162 1.385 . . . . 0.0 113.379 168.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.01 35.38 13.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.816 2.046 . . . . 0.0 113.594 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -121.78 30.82 6.5 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.867 1.667 . . . . 0.0 112.747 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -61.87 -53.82 56.64 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 165.247 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.97 78.47 3.15 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 123.351 2.701 . . . . 0.0 112.475 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.0 pt -131.67 74.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.708 1.603 . . . . 0.0 112.158 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m120 53.82 70.33 0.61 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.809 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.29 -22.9 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.129 1.372 . . . . 0.0 112.604 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.479 1.018 0 C-N-CA 125.031 1.332 . . . . 0.0 112.587 174.295 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 CA--C 1.545 0.788 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.7 t -64.05 -35.09 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 126.273 1.829 . . . . 0.0 112.971 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.22 -63.04 4.66 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.966 0.907 . . . . 0.0 113.223 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -67.65 -25.28 40.53 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 122.369 2.046 . . . . 0.0 113.737 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.39 -42.12 81.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.078 0.854 . . . . 0.0 111.441 168.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.39 -51.18 66.89 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.37 -0.831 . . . . 0.0 112.049 170.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -52.31 -60.91 2.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.206 1.002 . . . . 0.0 113.005 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.69 -37.88 88.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' A' ' 45' ' ' PHE . 79.3 mt -60.53 -49.2 78.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.221 0.608 . . . . 0.0 111.46 170.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.4 -37.9 82.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.601 1.16 . . . . 0.0 113.932 176.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -55.12 -52.5 63.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.362 0.983 . . . . 0.0 111.575 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 45' ' ' PHE . 69.6 mt -73.38 -26.65 61.09 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -40.73 71.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.06 . . . . 0.0 112.677 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -51.45 -48.28 62.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.156 1.382 . . . . 0.0 112.283 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.9 m -79.1 -38.03 37.23 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.543 1.137 . . . . 0.0 113.01 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.753 0 C-N-CA 124.603 1.161 . . . . 0.0 112.876 -179.484 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -54.4 -39.81 67.63 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.055 0.942 . . . . 0.0 112.059 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.58 95.25 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.43 -54.92 41.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.353 1.061 . . . . 0.0 110.954 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -59.56 -42.24 91.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.365 1.066 . . . . 0.0 112.737 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.74 -53.76 54.0 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.674 1.19 . . . . 0.0 112.658 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.353 1.061 . . . . 0.0 112.251 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.73 -38.74 76.97 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -61.15 -43.8 98.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.874 0.87 . . . . 0.0 112.116 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.56 -41.32 69.66 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.32 1.048 . . . . 0.0 113.444 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.22 -54.12 49.56 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.976 1.31 . . . . 0.0 111.074 173.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.88 73.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.582 1.153 . . . . 0.0 113.936 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.07 -11.84 61.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.861 1.664 . . . . 0.0 114.195 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.29 13.51 55.74 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.932 1.254 . . . . 0.0 114.602 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.96 58.69 30.89 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.969 1.308 . . . . 0.0 112.683 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.31 -19.69 55.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.137 2.558 . . . . 0.0 113.262 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -53.9 -48.63 69.93 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.454 1.102 . . . . 0.0 112.369 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -65.28 -39.24 92.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.654 -0.654 . . . . 0.0 111.461 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.82 94.1 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.88 0.764 . . . . 0.0 112.226 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.53 -33.33 71.26 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.36 -10.6 17.41 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -63.31 -48.1 79.47 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.351 1.432 . . . . 0.0 111.708 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -69.21 -24.88 64.09 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.073 0.949 . . . . 0.0 112.645 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.03 -6.06 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.88 1.272 . . . . 0.0 113.347 171.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 m 59.63 39.05 21.73 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.719 2.008 . . . . 0.0 114.02 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -121.54 24.46 9.83 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.741 1.616 . . . . 0.0 114.062 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.32 -47.41 99.08 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 120.333 -1.479 . . . . 0.0 114.641 165.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.76 77.09 4.21 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.971 2.447 . . . . 0.0 112.572 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 pt -130.72 51.77 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.744 1.618 . . . . 0.0 112.667 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 58.99 78.18 0.27 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.866 1.666 . . . . 0.0 112.435 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -51.85 -48.29 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.173 1.389 . . . . 0.0 111.56 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 124.028 0.931 . . . . 0.0 113.503 -178.73 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 121.361 0.601 . . . . 0.0 111.934 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.8 -29.15 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.113 1.365 . . . . 0.0 112.217 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.14 -57.55 16.04 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.388 1.475 . . . . 0.0 113.924 174.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.78 -35.34 36.71 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.745 1.63 . . . . 0.0 112.23 173.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.67 -21.98 66.66 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 p -91.13 -46.63 7.99 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.686 1.585 . . . . 0.0 112.332 167.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -59.46 -50.4 74.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.498 1.119 . . . . 0.0 113.22 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.01 -41.88 99.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.201 1.0 . . . . 0.0 112.367 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.96 -37.9 82.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.939 0.896 . . . . 0.0 112.134 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.11 -34.36 73.38 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.01 0.924 . . . . 0.0 113.108 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.2 m -64.75 -53.56 45.12 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.56 -0.712 . . . . 0.0 111.695 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.84 -26.5 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.27 -44.12 79.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.923 . . . . 0.0 112.118 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -49.76 76.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.854 0.862 . . . . 0.0 111.574 174.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.48 -31.82 72.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.019 1.328 . . . . 0.0 113.583 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 125.301 1.441 . . . . 0.0 113.228 174.708 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.2 mt . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -64.98 -35.77 82.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.167 0.587 . . . . 0.0 112.451 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.4 78.87 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -55.18 -54.93 37.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.657 1.183 . . . . 0.0 110.786 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.98 -44.62 94.36 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.496 0.719 . . . . 0.0 112.664 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.3 -55.46 34.53 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.729 1.15 . . . . 0.0 113.015 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.5 t -59.67 -48.71 80.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.328 0.651 . . . . 0.0 112.218 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.58 -35.91 82.2 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -62.02 -48.93 78.09 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.441 -0.787 . . . . 0.0 111.95 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -37.08 79.76 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.353 0.978 . . . . 0.0 112.822 177.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.27 -47.82 84.25 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.418 1.487 . . . . 0.0 111.784 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.11 76.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.467 1.107 . . . . 0.0 113.853 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.5 -13.29 60.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.994 1.718 . . . . 0.0 114.489 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.49 15.14 55.91 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.64 1.114 . . . . 0.0 114.423 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -124.52 59.69 21.55 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.937 1.295 . . . . 0.0 112.239 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -68.93 -15.39 40.13 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.0 2.466 . . . . 0.0 113.264 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -52.33 -53.74 40.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.687 1.195 . . . . 0.0 112.186 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -66.66 -38.25 86.45 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.557 -0.714 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.79 90.42 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.768 0.713 . . . . 0.0 112.504 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -62.79 -31.37 72.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 113.613 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.35 -10.41 24.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.277 1.031 . . . . 0.0 113.616 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.68 -50.41 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.018 1.281 . . . . 0.0 112.097 170.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.19 -29.54 69.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.338 1.055 . . . . 0.0 112.627 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.9 -2.7 52.13 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.616 1.167 . . . . 0.0 113.549 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 t 54.1 56.14 7.39 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.307 2.243 . . . . 0.0 113.386 -173.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -127.93 17.06 6.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.658 1.983 . . . . 0.0 113.051 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.93 99.52 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 120.529 -1.357 . . . . 0.0 114.478 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.98 79.84 3.19 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.002 2.468 . . . . 0.0 112.583 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 pt -131.33 45.82 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 126.09 1.756 . . . . 0.0 112.672 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 62.07 84.21 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.816 2.046 . . . . 0.0 112.246 -175.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.6 -42.38 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 125.506 1.523 . . . . 0.0 112.737 177.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -75.44 -27.6 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.686 1.195 . . . . 0.0 112.645 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.26 -59.59 12.89 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 121.014 -1.053 . . . . 0.0 113.564 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.01 -27.95 42.04 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.521 2.147 . . . . 0.0 113.592 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.32 -47.04 79.52 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.169 0.895 . . . . 0.0 111.2 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 t -55.18 -44.41 75.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.344 0.657 . . . . 0.0 112.249 176.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -57.92 -59.91 4.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.448 1.099 . . . . 0.0 112.038 174.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.7 -34.64 78.77 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -173.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.5 -40.72 93.38 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.075 0.852 . . . . 0.0 112.65 172.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.89 -37.5 82.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.329 1.052 . . . . 0.0 112.561 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 m -57.86 -57.06 14.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.852 1.261 . . . . 0.0 112.247 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.62 -27.85 65.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.11 -46.31 68.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.82 0.848 . . . . 0.0 111.835 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.91 -50.87 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.528 0.731 . . . . 0.0 112.463 176.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.12 -42.64 99.44 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.338 0.655 . . . . 0.0 112.307 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 124.552 1.141 . . . . 0.0 113.3 176.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.59 -35.06 73.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.394 -0.816 . . . . 0.0 111.891 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.88 -38.11 54.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.967 0.907 . . . . 0.0 113.329 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -55.84 -50.49 70.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.231 1.412 . . . . 0.0 111.758 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.87 -38.47 78.86 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.25 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.714 0.805 . . . . 0.0 113.078 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.43 -30.31 71.35 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.52 -51.07 25.59 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.271 0.941 . . . . 0.0 112.358 172.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -58.53 -40.55 83.25 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.516 -0.74 . . . . 0.0 112.627 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.42 -31.55 65.98 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -72.51 -48.06 43.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.631 0.772 . . . . 0.0 111.105 174.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.29 72.54 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.69 1.196 . . . . 0.0 113.233 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.25 -11.49 59.44 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.627 1.571 . . . . 0.0 114.408 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.27 14.8 63.44 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.969 1.271 . . . . 0.0 114.513 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -124.31 58.16 15.68 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 112.527 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.33 -19.58 55.73 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.108 2.539 . . . . 0.0 113.42 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -54.73 -37.44 65.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -58.06 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.538 0.608 . . . . 0.0 110.702 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -44.79 64.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.236 1.014 . . . . 0.0 113.341 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -63.03 -23.03 67.26 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.37 -2.11 54.99 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.231 1.412 . . . . 0.0 114.066 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CD1' HD23 ' A' ' 74' ' ' LEU . 15.2 t80 -60.2 -51.57 69.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.65 1.114 . . . . 0.0 112.294 175.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.68 -25.3 67.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.349 1.06 . . . . 0.0 113.085 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -88.62 3.21 51.37 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.279 1.432 . . . . 0.0 113.143 174.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.4 m 55.17 31.95 17.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.871 2.068 . . . . 0.0 113.982 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -101.34 13.47 34.97 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.876 2.07 . . . . 0.0 113.25 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' CE2' HD22 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -57.03 -56.61 31.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 120.825 -1.172 . . . . 0.0 113.847 169.061 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.05 81.24 2.26 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.296 2.664 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 pt -125.04 76.39 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.028 1.731 . . . . 0.0 111.418 175.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.0 t30 50.15 52.01 15.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.508 1.523 . . . . 0.0 112.708 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.8 mt -52.88 -43.81 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.784 1.633 . . . . 0.0 111.536 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 125.823 1.649 . . . . 0.0 114.302 177.865 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.5 tp . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.21 -30.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.401 1.48 . . . . 0.0 112.835 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.77 -62.77 3.62 Favored Pre-proline 0 N--CA 1.475 0.788 0 CA-C-O 118.244 -0.884 . . . . 0.0 112.098 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -65.41 -31.61 51.54 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.425 2.084 . . . . 0.0 113.209 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.4 tp -51.31 -55.45 18.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.967 1.258 . . . . 0.0 111.067 170.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.6 t -63.37 -50.47 69.81 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.876 -0.515 . . . . 0.0 112.314 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -55.46 -50.72 69.12 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.562 1.545 . . . . 0.0 112.993 -175.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.65 -43.18 94.47 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.591 1.156 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.83 -48.82 80.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.595 0.758 . . . . 0.0 111.825 172.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.33 -39.29 86.55 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.355 1.462 . . . . 0.0 113.35 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.0 m -58.81 -44.76 90.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.226 1.01 . . . . 0.0 111.618 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 45' ' ' PHE . 8.7 mp -75.19 -31.14 60.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -54.65 -39.27 67.84 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.365 1.066 . . . . 0.0 112.551 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -50.4 -41.03 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.417 1.887 . . . . 0.0 113.047 172.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.3 t -88.0 -37.69 16.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.972 1.309 . . . . 0.0 112.667 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.296 1.438 . . . . 0.0 113.823 -176.167 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.33 -49.06 70.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.038 0.935 . . . . 0.0 112.196 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.08 83.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.73 0.812 . . . . 0.0 112.908 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -60.53 -54.34 46.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.501 1.52 . . . . 0.0 112.045 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.11 -30.8 71.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.845 0.858 . . . . 0.0 113.276 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.65 5.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.945 1.248 . . . . 0.0 112.427 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 m -57.31 -44.33 84.03 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.25 0.62 . . . . 0.0 112.556 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.07 -40.55 98.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -62.69 -45.07 94.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.717 0.807 . . . . 0.0 112.373 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.04 -45.88 71.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.228 0.922 . . . . 0.0 112.031 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -61.18 -53.27 59.02 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 111.96 173.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.61 74.2 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.693 1.197 . . . . 0.0 113.796 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.87 -11.99 61.06 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.034 1.734 . . . . 0.0 114.341 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.98 8.33 48.22 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.791 1.186 . . . . 0.0 115.332 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.36 65.21 57.96 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 119.1 1.45 . . . . 0.0 112.455 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.3 -17.54 54.25 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.189 2.593 . . . . 0.0 113.872 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.24 -36.97 53.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.665 1.186 . . . . 0.0 113.074 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -69.93 -53.8 16.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.357 0.663 . . . . 0.0 111.061 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.64 -44.45 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.371 1.068 . . . . 0.0 113.521 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -64.72 -14.83 60.17 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.75 3.7 55.14 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.432 1.493 . . . . 0.0 113.777 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.99 -58.42 8.51 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.591 1.087 . . . . 0.0 112.109 175.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.5 -25.96 64.31 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.404 0.682 . . . . 0.0 112.759 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.86 -5.39 48.19 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.55 1.14 . . . . 0.0 113.096 170.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 m 58.27 39.94 25.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.943 2.497 . . . . 0.0 114.907 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -116.87 29.6 7.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.905 1.282 . . . . 0.0 113.058 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.97 -54.47 56.14 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.432 1.093 . . . . 0.0 113.558 164.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.08 83.4 2.14 Favored 'Trans proline' 0 CA--C 1.546 1.098 0 C-N-CA 123.188 2.592 . . . . 0.0 112.628 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 pt -133.81 64.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.602 1.561 . . . . 0.0 112.642 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 48.82 79.75 0.07 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.845 1.658 . . . . 0.0 113.089 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.51 -36.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 121.091 -1.006 . . . . 0.0 111.561 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 125.974 1.71 . . . . 0.0 113.14 176.752 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.13 -32.83 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.676 1.19 . . . . 0.0 112.401 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -51.49 -63.14 2.2 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-O 118.13 -0.938 . . . . 0.0 113.089 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.15 -35.59 63.27 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.111 1.874 . . . . 0.0 112.73 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 63.0 tp -54.81 -55.19 32.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.231 1.012 . . . . 0.0 111.744 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.88 -42.8 99.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.456 0.702 . . . . 0.0 112.299 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -58.52 -56.24 24.64 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.011 1.325 . . . . 0.0 112.713 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -58.9 -42.21 89.04 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.359 0.981 . . . . 0.0 112.46 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.02 -55.64 32.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.599 1.159 . . . . 0.0 111.299 170.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.0 -35.31 74.76 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.0 m -59.59 -54.87 41.47 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.291 1.036 . . . . 0.0 111.268 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.3 -24.44 62.14 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -54.15 -33.58 58.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.401 1.001 . . . . 0.0 112.699 171.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.45 -50.22 70.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.965 0.906 . . . . 0.0 111.609 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.4 m -77.42 -38.56 49.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.781 0.832 . . . . 0.0 113.103 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 124.243 1.017 . . . . 0.0 113.543 -177.225 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 119.035 -0.507 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HB3' HG21 ' A' ' 73' ' ' THR . 26.5 mm-40 -58.81 -46.32 87.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.322 0.965 . . . . 0.0 112.741 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.25 87.33 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.623 0.647 . . . . 0.0 112.283 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -59.52 -56.21 24.8 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.373 1.469 . . . . 0.0 111.251 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.64 -38.1 83.69 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.377 1.071 . . . . 0.0 112.946 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -53.27 60.08 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 120.507 1.503 . . . . 0.0 111.832 174.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.98 -52.34 65.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.472 1.109 . . . . 0.0 112.044 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -69.95 -27.75 65.0 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -74.99 -42.03 58.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.865 -1.147 . . . . 0.0 112.231 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -56.58 -44.33 80.91 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.806 0.73 . . . . 0.0 112.311 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -61.99 -44.81 95.95 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -33.67 76.29 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.293 1.037 . . . . 0.0 113.313 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -7.06 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.042 1.737 . . . . 0.0 114.085 172.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.26 11.63 58.27 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.118 1.342 . . . . 0.0 114.46 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -125.93 59.85 31.01 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.049 1.34 . . . . 0.0 112.726 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -65.48 -21.15 60.64 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.214 2.609 . . . . 0.0 113.211 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -54.66 -40.45 69.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.914 1.286 . . . . 0.0 112.87 174.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.0 -50.64 65.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.623 0.647 . . . . 0.0 111.207 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.79 74.86 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.921 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -59.09 -28.46 66.52 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.78 0.42 34.85 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.162 1.385 . . . . 0.0 114.244 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -61.61 -61.93 2.17 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.544 1.066 . . . . 0.0 112.528 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.63 -22.16 64.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.48 -6.71 45.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.496 1.518 . . . . 0.0 113.578 169.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t 60.35 44.03 12.78 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.706 2.002 . . . . 0.0 112.977 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -122.78 16.27 10.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.262 1.825 . . . . 0.0 113.092 -173.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -56.15 38.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.01 83.4 1.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.89 2.393 . . . . 0.0 112.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.26 74.81 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.194 1.798 . . . . 0.0 110.859 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 m120 51.11 64.08 1.98 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.859 1.663 . . . . 0.0 112.049 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.11 -36.4 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.151 0.981 . . . . 0.0 111.902 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 124.182 0.993 . . . . 0.0 112.372 175.121 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 CA--C 1.546 0.806 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.81 -34.86 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.998 1.319 . . . . 0.0 112.419 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.78 -63.51 2.52 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.716 1.206 . . . . 0.0 112.366 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.62 -32.4 48.07 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.516 2.144 . . . . 0.0 113.397 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.5 tp -55.32 -52.5 63.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 120.166 1.348 . . . . 0.0 111.411 172.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.57 -53.09 60.93 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.603 0.761 . . . . 0.0 111.841 174.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -58.19 -55.07 39.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.601 1.56 . . . . 0.0 113.148 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -60.52 -39.11 86.62 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.243 0.929 . . . . 0.0 112.589 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.36 -52.17 65.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.552 0.741 . . . . 0.0 111.268 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -56.31 -42.79 78.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.565 1.146 . . . . 0.0 113.741 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 20' ' ' GLU . 68.0 m -61.65 -46.23 90.66 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.394 -0.817 . . . . 0.0 112.461 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.5 mt -72.28 -27.12 62.27 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.4 -34.34 72.33 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.449 1.022 . . . . 0.0 112.739 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -41.73 66.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.917 1.287 . . . . 0.0 112.482 171.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -87.99 -20.55 25.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.637 1.175 . . . . 0.0 113.863 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 124.487 1.115 . . . . 0.0 113.556 177.35 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.37 -49.42 64.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.909 0.884 . . . . 0.0 111.548 167.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.21 -37.34 66.47 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -54.51 -57.09 12.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.875 0.87 . . . . 0.0 111.205 171.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -62.59 -37.97 88.31 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.534 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -57.84 10.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.77 1.168 . . . . 0.0 112.655 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.9 -50.06 75.27 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.24 -47.82 83.94 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.281 1.032 . . . . 0.0 112.967 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -62.4 -41.01 98.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.963 0.905 . . . . 0.0 112.663 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.98 -34.96 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.905 0.775 . . . . 0.0 112.863 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -66.64 -49.35 66.52 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.445 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.83 73.95 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.765 1.226 . . . . 0.0 113.553 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.73 50.92 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.986 1.715 . . . . 0.0 114.095 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 12.2 67.63 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.145 1.355 . . . . 0.0 114.453 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -125.64 58.1 20.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.218 1.407 . . . . 0.0 112.919 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -65.17 -19.36 62.78 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.845 2.363 . . . . 0.0 113.2 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.18 -37.25 64.28 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.066 1.346 . . . . 0.0 113.452 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.46 -55.91 20.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.786 0.721 . . . . 0.0 110.74 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.87 77.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.773 0.829 . . . . 0.0 113.1 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.75 -29.58 69.48 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.03 2.17 24.85 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.708 1.603 . . . . 0.0 114.392 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -59.7 -57.16 14.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.499 1.12 . . . . 0.0 112.829 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.11 -20.71 64.07 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -74.97 -6.7 50.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.861 1.264 . . . . 0.0 113.26 169.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m 60.2 24.86 14.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.763 2.025 . . . . 0.0 114.016 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -94.94 11.56 31.4 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.761 1.624 . . . . 0.0 113.745 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.26 -51.69 79.77 Favored Pre-proline 0 CA--C 1.552 1.045 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 171.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.57 80.05 2.39 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 123.213 2.608 . . . . 0.0 112.367 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.18 62.98 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.986 1.714 . . . . 0.0 112.054 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.89 71.37 0.52 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.892 1.677 . . . . 0.0 112.005 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.4 mt -52.79 -42.74 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.331 1.052 . . . . 0.0 111.297 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 125.268 1.427 . . . . 0.0 113.017 177.671 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.9 t -73.61 -32.91 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.489 1.516 . . . . 0.0 112.528 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.76 -62.4 4.66 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.215 1.006 . . . . 0.0 113.142 174.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.87 -34.18 49.9 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.366 2.044 . . . . 0.0 112.882 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.5 tp -54.13 -53.57 51.5 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.388 0.994 . . . . 0.0 111.043 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.62 -47.25 73.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.317 1.047 . . . . 0.0 112.037 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.28 -59.04 6.04 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.156 0.982 . . . . 0.0 113.451 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.89 -42.16 97.55 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.498 1.119 . . . . 0.0 112.512 -172.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.61 -45.73 92.86 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.511 0.596 . . . . 0.0 111.73 172.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.47 -8.54 34.27 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.7 m -86.93 -57.75 2.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.553 1.141 . . . . 0.0 110.779 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.34 -35.6 78.0 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -59.92 -29.23 68.23 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.288 0.949 . . . . 0.0 112.952 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -65.91 -25.57 67.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.658 2.383 . . . . 0.0 113.16 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.4 m -96.76 -34.29 11.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.341 1.457 . . . . 0.0 112.036 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -178.712 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 119.621 -0.228 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -52.99 -58.56 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.457 1.103 . . . . 0.0 111.673 169.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.13 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.004 0.922 . . . . 0.0 112.748 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -58.59 -54.08 51.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.566 1.546 . . . . 0.0 112.186 177.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.21 -31.74 71.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.33 -52.14 14.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.677 0.791 . . . . 0.0 112.965 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 -49.69 76.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.865 1.266 . . . . 0.0 112.02 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.29 -45.56 92.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.271 1.028 . . . . 0.0 112.305 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -63.61 -45.85 88.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.0 mt -56.51 -42.48 78.44 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.148 0.886 . . . . 0.0 112.164 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.5 -54.25 47.74 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.436 1.094 . . . . 0.0 112.016 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.1 70.49 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -12.86 61.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.205 1.402 . . . . 0.0 113.958 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.39 7.07 40.76 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.416 1.484 . . . . 0.0 115.118 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -128.18 62.7 59.47 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.188 1.494 . . . . 0.0 112.997 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.05 -19.21 63.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.238 2.625 . . . . 0.0 113.597 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.29 -39.59 67.07 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.274 1.03 . . . . 0.0 112.92 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -65.31 -51.08 63.03 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.923 0.489 . . . . 0.0 110.848 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 -45.16 72.06 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.232 1.013 . . . . 0.0 113.265 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -61.61 -25.5 67.39 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.42 -0.24 25.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.01 1.324 . . . . 0.0 114.448 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -61.27 -54.29 45.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.64 1.109 . . . . 0.0 112.937 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.73 -24.22 66.2 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -81.94 -2.79 52.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.914 1.286 . . . . 0.0 113.006 171.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t 52.62 49.82 19.54 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.393 2.677 . . . . 0.0 113.908 -176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -122.53 26.79 8.16 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.179 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.44 -54.62 36.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.681 1.192 . . . . 0.0 114.041 166.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -77.75 78.36 3.57 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.122 2.548 . . . . 0.0 112.165 -176.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 pt -127.65 76.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.96 1.704 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 m120 50.46 64.63 1.73 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.58 1.552 . . . . 0.0 112.412 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.4 mt -49.59 -48.44 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.588 1.555 . . . . 0.0 111.469 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.47 0.554 0 C-N-CA 124.714 1.206 . . . . 0.0 113.354 177.375 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.63 -36.38 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.822 1.249 . . . . 0.0 112.652 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.93 -65.07 1.36 Allowed Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.813 1.245 . . . . 0.0 113.415 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -65.43 -34.3 43.97 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.313 2.009 . . . . 0.0 112.95 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.08 -51.81 62.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.258 1.39 . . . . 0.0 111.348 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.4 t -58.41 -53.5 57.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.673 0.789 . . . . 0.0 112.115 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.98 -48.57 81.16 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.8 mmt-85 -64.19 -38.59 91.6 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.12 0.873 . . . . 0.0 112.277 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.35 -49.69 75.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.738 0.699 . . . . 0.0 111.544 170.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -59.17 -28.9 67.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.294 1.038 . . . . 0.0 113.751 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.5 m -62.94 -55.75 23.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.563 1.145 . . . . 0.0 112.217 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.11 -25.81 66.39 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.382 -0.824 . . . . 0.0 113.132 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -56.81 -27.64 60.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -51.62 -41.98 61.68 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.813 1.245 . . . . 0.0 111.985 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.3 t -90.7 -44.81 9.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.489 1.116 . . . . 0.0 112.398 175.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -175.843 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.74 -32.02 63.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.22 0.918 . . . . 0.0 112.699 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.35 69.89 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.657 1.183 . . . . 0.0 113.092 171.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.45 -44.26 91.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.14 -38.49 86.59 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.481 1.112 . . . . 0.0 112.412 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.2 60.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.712 1.142 . . . . 0.0 112.2 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.0 t -56.5 -54.31 47.31 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.258 1.023 . . . . 0.0 112.008 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.78 -44.24 90.62 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -60.67 -43.46 97.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.493 0.717 . . . . 0.0 112.621 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -56.91 -38.54 72.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.124 0.875 . . . . 0.0 112.284 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -66.95 -52.02 47.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.512 0.725 . . . . 0.0 111.928 172.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.62 72.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.94 -5.82 33.8 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.385 1.874 . . . . 0.0 114.368 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 8.77 59.08 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.061 1.315 . . . . 0.0 115.059 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -125.41 60.98 33.6 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 118.872 1.336 . . . . 0.0 112.66 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -66.19 -18.25 55.8 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.259 2.64 . . . . 0.0 114.008 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -51.53 -43.31 62.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.19 1.396 . . . . 0.0 112.63 172.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -67.18 -47.17 71.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.068 0.547 . . . . 0.0 111.433 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.92 75.24 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.939 0.896 . . . . 0.0 112.594 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -60.02 -33.12 71.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.114 0.965 . . . . 0.0 113.524 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.57 -5.75 35.66 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.229 1.412 . . . . 0.0 114.365 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -59.57 -56.0 27.39 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.638 1.108 . . . . 0.0 112.495 173.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.33 -18.72 63.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.935 0.894 . . . . 0.0 113.365 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.44 -1.76 51.12 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.51 1.524 . . . . 0.0 113.543 169.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m 59.28 36.16 23.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.483 1.913 . . . . 0.0 113.556 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -112.63 15.88 19.88 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.62 1.968 . . . . 0.0 113.358 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -51.05 84.63 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 169.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.52 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.044 2.496 . . . . 0.0 112.52 -177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -130.06 61.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.002 1.721 . . . . 0.0 112.121 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 49.02 79.13 0.08 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.858 2.063 . . . . 0.0 113.582 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.0 mt -56.69 -33.35 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.854 1.262 . . . . 0.0 112.114 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.479 0.998 0 O-C-N 120.91 -1.118 . . . . 0.0 112.241 178.537 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.22 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.561 1.144 . . . . 0.0 112.403 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.65 -61.86 7.04 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.454 1.102 . . . . 0.0 112.629 170.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -64.55 -29.94 61.24 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.076 1.851 . . . . 0.0 113.233 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.2 tp -55.02 -51.23 66.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.922 1.237 . . . . 0.0 111.305 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 37.6 t -59.07 -54.73 43.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.267 0.627 . . . . 0.0 111.915 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.43 -55.9 27.83 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.862 1.265 . . . . 0.0 113.203 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -59.54 -40.18 86.36 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.081 0.855 . . . . 0.0 112.835 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.69 -51.27 67.86 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.349 0.66 . . . . 0.0 111.169 171.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.15 -36.04 70.26 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.714 1.606 . . . . 0.0 114.147 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.0 m -55.23 -62.02 1.95 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.697 1.199 . . . . 0.0 111.371 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.61 -19.68 61.42 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -56.11 -38.95 71.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.59 1.156 . . . . 0.0 112.269 171.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -43.87 78.49 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.328 1.451 . . . . 0.0 112.223 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 83.7 m -72.05 -52.07 18.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.21 1.404 . . . . 0.0 111.868 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 125.044 1.337 . . . . 0.0 114.397 -175.006 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 119.8 -0.143 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.81 -54.6 40.13 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.951 1.301 . . . . 0.0 111.829 175.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.17 91.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.278 1.031 . . . . 0.0 112.312 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -59.03 -52.25 66.56 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.164 . . . . 0.0 112.006 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -57.38 -47.86 80.55 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.546 1.539 . . . . 0.0 112.1 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.79 84.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.63 0.772 . . . . 0.0 113.014 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.69 -53.36 59.26 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.618 1.167 . . . . 0.0 111.993 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.77 -39.89 94.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.161 0.985 . . . . 0.0 112.998 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -60.63 -48.27 82.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.609 0.763 . . . . 0.0 111.475 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.55 -37.66 70.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.27 0.941 . . . . 0.0 112.749 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -60.99 -58.98 6.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.637 0.775 . . . . 0.0 112.018 169.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.46 68.59 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.28 -10.78 59.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.162 2.185 . . . . 0.0 114.717 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.77 56.18 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.532 1.063 . . . . 0.0 114.936 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -127.9 58.69 34.59 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.175 1.39 . . . . 0.0 112.911 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.8 -22.28 63.79 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.098 2.532 . . . . 0.0 113.757 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.21 -51.76 68.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.643 0.777 . . . . 0.0 111.207 174.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.82 -38.91 76.43 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.729 0.695 . . . . 0.0 112.505 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.7 89.11 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.094 0.861 . . . . 0.0 112.791 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.6 -28.73 67.43 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.03 -7.33 21.87 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.53 -54.93 36.63 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.313 1.415 . . . . 0.0 111.326 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.84 -23.24 65.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.51 -5.86 58.39 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.794 1.238 . . . . 0.0 113.255 172.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t 56.82 52.97 8.72 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.427 2.291 . . . . 0.0 113.377 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -132.66 22.26 4.28 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.651 1.581 . . . . 0.0 113.748 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.96 -54.03 58.31 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.99 77.7 3.84 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 123.36 2.707 . . . . 0.0 112.389 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 pt -128.14 65.32 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.164 1.786 . . . . 0.0 111.863 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m120 52.71 70.27 0.59 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.309 1.844 . . . . 0.0 112.146 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.06 -39.27 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.09 0.956 . . . . 0.0 111.342 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 125.266 1.426 . . . . 0.0 112.57 176.766 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.7 t -90.73 -21.72 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.995 1.318 . . . . 0.0 112.673 -170.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.23 -62.24 5.61 Favored Pre-proline 0 CA--C 1.549 0.912 0 O-C-N 120.926 -1.109 . . . . 0.0 112.628 166.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.53 -26.61 54.39 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 122.278 1.986 . . . . 0.0 112.978 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.94 -48.82 75.05 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.282 0.947 . . . . 0.0 111.844 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.05 -47.66 80.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.09 0.556 . . . . 0.0 111.865 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.96 -52.76 63.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.653 0.781 . . . . 0.0 111.87 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -65.01 -35.53 81.48 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.94 -33.73 76.72 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.173 0.897 . . . . 0.0 112.918 171.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -69.78 -30.32 67.85 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.87 . . . . 0.0 113.021 171.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -59.91 -54.3 47.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.296 1.039 . . . . 0.0 113.305 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.24 -24.95 64.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.182 0.993 . . . . 0.0 112.593 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.45 -29.61 64.35 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.76 1.224 . . . . 0.0 112.917 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.38 -52.89 19.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.209 1.804 . . . . 0.0 111.731 169.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 49.8 t -74.91 -53.36 9.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.064 1.345 . . . . 0.0 111.433 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -172.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -55.84 -40.28 72.62 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.273 0.629 . . . . 0.0 112.154 171.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.78 91.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -61.82 -54.85 36.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.825 0.85 . . . . 0.0 111.862 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.22 -26.49 68.15 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.41 -58.29 8.17 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.339 0.972 . . . . 0.0 112.469 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m -59.98 -41.53 92.21 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.89 -47.17 84.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.626 0.77 . . . . 0.0 112.877 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.93 -42.0 97.28 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.609 0.764 . . . . 0.0 112.672 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.71 -35.42 66.08 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.856 0.753 . . . . 0.0 112.764 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -66.69 -52.18 47.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.649 0.78 . . . . 0.0 111.666 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.57 72.08 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.656 1.183 . . . . 0.0 113.457 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.97 -9.67 55.93 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.787 1.635 . . . . 0.0 114.666 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.65 7.23 56.89 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.037 1.303 . . . . 0.0 115.104 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -128.61 63.08 63.61 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 118.922 1.361 . . . . 0.0 112.567 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.39 -20.0 69.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.887 2.391 . . . . 0.0 113.172 177.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -58.31 -35.82 72.42 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.01 -45.95 89.97 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.13 1.332 . . . . 0.0 111.664 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.34 -32.5 66.79 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -63.31 -30.42 71.56 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.11 -11.14 60.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.828 1.195 . . . . 0.0 112.998 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -63.23 -49.82 72.64 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.58 1.082 . . . . 0.0 111.566 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.37 -27.41 65.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.869 0.868 . . . . 0.0 112.623 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.17 -5.84 52.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.503 1.521 . . . . 0.0 113.717 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m 59.66 38.65 21.85 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.812 2.045 . . . . 0.0 114.215 -176.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -125.16 31.78 5.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.915 1.686 . . . . 0.0 113.24 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.97 -45.35 86.83 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 163.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -79.05 76.61 4.46 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.023 2.482 . . . . 0.0 112.212 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.8 58.65 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.71 1.604 . . . . 0.0 112.266 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.7 m120 54.23 76.6 0.23 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.311 1.845 . . . . 0.0 112.207 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.58 -43.39 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.452 0.701 . . . . 0.0 111.079 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.478 0.966 0 C-N-CA 124.686 1.194 . . . . 0.0 113.201 -179.551 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.75 -33.43 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.535 1.134 . . . . 0.0 111.781 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.27 -68.25 0.73 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.014 1.326 . . . . 0.0 112.902 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -62.02 -31.89 84.01 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 121.621 1.615 . . . . 0.0 112.543 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.1 tp -54.58 -59.41 4.74 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.175 0.99 . . . . 0.0 111.777 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 p -63.48 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.98 -52.47 65.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.826 1.193 . . . . 0.0 112.317 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -65.71 -34.31 77.9 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.41 -43.65 85.17 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.89 0.768 . . . . 0.0 112.222 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -62.13 -44.19 97.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.149 1.38 . . . . 0.0 114.064 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t -62.2 -35.59 79.32 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.76 1.164 . . . . 0.0 113.014 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.62 -26.35 57.7 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.01 -37.1 78.71 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.701 1.137 . . . . 0.0 112.545 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -55.88 -53.68 53.82 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.295 1.038 . . . . 0.0 111.384 171.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.4 m -60.04 -48.41 81.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.658 1.183 . . . . 0.0 112.369 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -177.804 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 mmt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -66.11 131.25 45.74 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.56 1.073 . . . . 0.0 112.547 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -151.26 167.45 27.82 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.341 1.856 . . . . 0.0 111.412 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -101.47 -51.72 3.4 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.571 1.148 . . . . 0.0 111.78 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -149.72 166.7 28.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.719 1.608 . . . . 0.0 111.73 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -80.82 -74.14 0.33 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.157 0.983 . . . . 0.0 110.813 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -144.46 166.5 24.95 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.451 1.9 . . . . 0.0 111.355 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -107.81 73.14 0.89 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.443 1.497 . . . . 0.0 110.92 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -155.07 176.01 13.09 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 111.826 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.93 84.14 0.05 OUTLIER Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.52 1.057 . . . . 0.0 114.294 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -139.97 69.03 1.35 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.098 1.359 . . . . 0.0 111.587 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -154.12 81.7 4.57 Favored Pre-proline 0 N--CA 1.481 1.103 0 C-N-CA 124.649 1.18 . . . . 0.0 112.064 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.18 137.35 26.01 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.727 2.285 . . . . 0.0 111.498 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -141.11 171.02 14.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.422 1.889 . . . . 0.0 111.548 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.55 -9.8 59.22 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.111 1.338 . . . . 0.0 115.441 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -71.54 38.1 0.06 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.66 2.384 . . . . 0.0 113.948 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -27.52 65.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -172.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.38 -21.66 61.25 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.101 -1.0 . . . . 0.0 113.471 173.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.68 -38.28 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.675 1.59 . . . . 0.0 109.863 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.01 -32.88 64.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.413 -0.804 . . . . 0.0 112.455 169.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.62 83.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.526 1.13 . . . . 0.0 113.814 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -63.5 -51.5 65.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.663 1.185 . . . . 0.0 111.02 174.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.3 -32.26 72.97 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.341 1.056 . . . . 0.0 113.048 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -58.56 8.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.545 1.138 . . . . 0.0 112.773 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.84 -52.33 64.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.414 0.686 . . . . 0.0 111.781 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -39.79 95.26 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -62.16 -44.05 97.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.492 0.717 . . . . 0.0 112.168 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -45.75 73.89 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.41 1.005 . . . . 0.0 111.581 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -62.5 -52.53 63.1 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.543 0.737 . . . . 0.0 111.893 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.32 -44.87 80.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.857 1.263 . . . . 0.0 113.237 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.66 -7.35 14.82 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.98 1.712 . . . . 0.0 114.678 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.45 10.93 43.09 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.103 1.335 . . . . 0.0 114.948 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -126.51 58.87 29.27 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 112.53 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.32 -20.54 48.7 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.122 2.548 . . . . 0.0 113.92 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -53.89 -48.55 69.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.351 1.06 . . . . 0.0 111.492 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -59.02 -49.89 76.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.678 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.58 -50.49 67.87 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 113.248 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -59.93 -31.4 69.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.031 0.932 . . . . 0.0 112.961 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -69.51 -4.4 18.72 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.64 -61.46 2.57 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.149 1.341 . . . . 0.0 112.452 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -70.9 -16.78 62.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.38 -0.07 35.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.777 1.231 . . . . 0.0 113.49 167.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.5 m 60.86 37.16 18.7 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.703 2.001 . . . . 0.0 113.79 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -121.38 15.54 11.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.25 1.82 . . . . 0.0 113.476 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -58.88 -53.47 66.08 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 169.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.61 80.79 2.69 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.089 2.526 . . . . 0.0 112.077 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.0 pt -126.62 57.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.022 1.729 . . . . 0.0 111.311 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 53.64 69.45 0.71 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.846 2.058 . . . . 0.0 112.968 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.94 -51.27 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.845 1.658 . . . . 0.0 111.467 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 p -60.24 -32.03 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.545 1.138 . . . . 0.0 113.543 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.86 -56.37 5.05 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.04 0.836 . . . . 0.0 111.365 174.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.8 m -62.8 -34.61 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -71.97 -21.04 61.64 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -93.37 4.77 53.43 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.829 1.652 . . . . 0.0 113.791 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -67.95 9.93 0.25 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.316 1.446 . . . . 0.0 114.667 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 54.88 40.46 31.99 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.944 2.098 . . . . 0.0 112.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.82 -34.87 79.16 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.061 1.344 . . . . 0.0 113.759 -172.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -130.82 159.46 37.27 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.176 2.19 . . . . 0.0 110.522 171.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -71.13 -41.79 70.04 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.292 1.037 . . . . 0.0 112.301 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.41 124.01 26.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.936 1.294 . . . . 0.0 112.869 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -82.68 -14.27 54.95 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.029 0.932 . . . . 0.0 113.362 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.49 -31.16 71.86 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.126 -0.984 . . . . 0.0 112.838 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.99 -22.68 64.08 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.193 1.797 . . . . 0.0 112.762 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.87 -28.58 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.803 1.241 . . . . 0.0 112.419 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.45 -59.13 14.84 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.835 -1.079 . . . . 0.0 113.59 173.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.58 -33.19 46.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.783 1.655 . . . . 0.0 112.73 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.87 -32.19 69.26 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.458 1.026 . . . . 0.0 112.385 170.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.4 -53.91 7.09 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.166 -0.958 . . . . 0.0 112.057 170.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -60.84 -46.96 88.53 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.322 1.449 . . . . 0.0 114.043 -174.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -67.11 -32.32 73.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.657 0.783 . . . . 0.0 112.626 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 45' ' ' PHE . 3.2 mm? -66.21 -50.73 62.82 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.561 0.744 . . . . 0.0 110.95 168.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -57.78 -44.88 86.54 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 t -61.27 -35.81 78.31 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.353 0.979 . . . . 0.0 113.085 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' CE2' ' A' ' 45' ' ' PHE . 61.0 mt -81.95 -25.12 35.12 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -55.28 -43.27 74.58 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.947 1.299 . . . . 0.0 112.169 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -52.79 -47.07 67.84 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.144 1.777 . . . . 0.0 112.593 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.2 m -75.62 -35.6 60.46 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.067 1.347 . . . . 0.0 113.038 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.58 88.2 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.031 1.332 . . . . 0.0 113.02 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.9 p 46.41 23.2 0.2 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.364 2.666 . . . . 0.0 116.771 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -70.83 116.0 10.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.275 1.43 . . . . 0.0 111.78 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.303 0 C-N-CA 128.834 2.854 . . . . 0.0 113.596 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptp . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.195 0.045 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -141.93 158.4 43.82 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.591 1.156 . . . . 0.0 111.573 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -126.01 70.46 1.22 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.904 1.681 . . . . 0.0 110.545 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.46 -37.04 77.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.532 0.733 . . . . 0.0 112.366 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -151.85 165.31 34.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.486 1.914 . . . . 0.0 110.2 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -136.2 84.05 2.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.539 1.136 . . . . 0.0 110.887 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -65.25 143.51 57.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.598 0.759 . . . . 0.0 111.664 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.0 p -145.49 162.59 37.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.691 1.596 . . . . 0.0 111.568 173.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -153.8 171.25 19.21 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.177 1.791 . . . . 0.0 111.414 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.55 -148.73 5.06 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.801 1.667 . . . . 0.0 112.19 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp 68.81 9.98 7.66 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.979 2.112 . . . . 0.0 114.826 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -139.47 86.43 14.23 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 125.861 1.664 . . . . 0.0 112.041 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.92 98.22 1.17 Allowed 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.744 2.963 . . . . 0.0 112.402 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -75.71 -27.57 58.26 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.659 1.183 . . . . 0.0 114.001 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.43 -169.51 34.43 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.825 1.202 . . . . 0.0 113.414 -173.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -67.6 1.89 2.15 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -50.44 -45.02 55.66 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.413 1.885 . . . . 0.0 113.623 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -66.84 -39.75 87.71 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.663 0.785 . . . . 0.0 112.864 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.402 ' H ' HD12 ' A' ' 19' ' ' ILE . 5.1 mp -65.89 -50.34 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.495 1.118 . . . . 0.0 109.604 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -54.6 -47.58 73.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.3 1.44 . . . . 0.0 112.524 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.17 81.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.999 1.32 . . . . 0.0 113.065 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.23 78.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.397 1.079 . . . . 0.0 111.064 177.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -61.44 -37.86 85.08 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.48 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.488 1.04 . . . . 0.0 112.299 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.2 t -60.33 -52.72 64.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.061 0.944 . . . . 0.0 112.289 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.94 -40.66 87.61 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.126 0.971 . . . . 0.0 113.166 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -61.51 -42.77 99.3 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.429 -0.794 . . . . 0.0 112.155 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.17 -29.31 63.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.796 0.838 . . . . 0.0 113.146 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -64.56 -59.0 4.8 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.875 0.87 . . . . 0.0 110.919 171.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.22 -29.73 70.0 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.231 1.412 . . . . 0.0 113.614 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.87 63.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.055 1.742 . . . . 0.0 114.617 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.96 11.86 64.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.468 1.032 . . . . 0.0 114.542 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -128.37 61.71 55.26 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 118.738 1.269 . . . . 0.0 112.281 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.68 -16.67 42.41 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.421 2.747 . . . . 0.0 113.923 -176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.016 1.326 . . . . 0.0 111.858 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -55.36 -48.94 73.49 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.875 -0.516 . . . . 0.0 111.583 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.57 96.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.005 0.922 . . . . 0.0 113.359 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -58.06 -32.07 67.67 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.384 -0.822 . . . . 0.0 113.164 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 mp -75.34 -1.82 25.51 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.654 1.582 . . . . 0.0 114.368 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.57 -58.96 6.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.888 1.222 . . . . 0.0 112.958 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.95 -22.25 66.97 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.23 -3.67 50.09 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.858 1.263 . . . . 0.0 113.315 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t 58.35 31.22 20.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.316 2.246 . . . . 0.0 113.699 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.7 16.23 22.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.219 1.807 . . . . 0.0 113.277 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.67 -56.7 33.11 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 120.762 -1.211 . . . . 0.0 113.716 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.72 84.02 1.49 Allowed 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.076 2.517 . . . . 0.0 112.662 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 pt -130.61 66.9 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.517 1.527 . . . . 0.0 112.024 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 49.53 60.62 3.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.285 1.434 . . . . 0.0 112.193 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.02 -36.73 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.839 1.256 . . . . 0.0 111.199 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.02 -34.94 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 112.75 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.98 -53.37 15.11 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.265 -0.897 . . . . 0.0 112.179 173.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.4 m -61.91 -30.72 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.067 0.848 . . . . 0.0 113.037 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -69.31 -53.86 17.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.436 0.694 . . . . 0.0 112.493 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -71.63 -10.11 59.27 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.41 -29.81 70.17 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.275 1.43 . . . . 0.0 113.546 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.9 m170 45.8 36.32 2.74 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 127.054 2.142 . . . . 0.0 114.508 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.5 -42.64 78.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.817 1.247 . . . . 0.0 113.442 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.68 159.76 31.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.545 1.138 . . . . 0.0 112.716 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.23 -55.41 25.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.236 1.414 . . . . 0.0 112.844 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -83.63 90.78 7.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.034 1.334 . . . . 0.0 113.245 -171.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -58.89 -22.98 60.51 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -67.37 -16.7 64.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.35 -19.89 60.29 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.718 1.207 . . . . 0.0 113.242 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.84 -33.19 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.747 1.219 . . . . 0.0 112.398 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -55.57 -63.12 3.44 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.767 1.227 . . . . 0.0 112.413 171.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.29 -28.04 40.23 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.693 2.262 . . . . 0.0 113.634 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.6 tp -53.52 -58.44 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.163 1.347 . . . . 0.0 110.786 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.91 -47.26 85.61 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.996 0.518 . . . . 0.0 112.043 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -56.4 -59.05 5.53 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -61.02 -39.31 89.28 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.129 0.877 . . . . 0.0 112.89 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -58.46 -54.86 42.27 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -56.03 -40.51 73.55 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.495 1.118 . . . . 0.0 113.893 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.3 m -54.26 -54.79 35.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.776 1.231 . . . . 0.0 112.198 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.15 -25.67 61.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.92 -31.42 68.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -52.05 -42.83 63.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.935 1.294 . . . . 0.0 112.395 173.197 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -84.23 -37.95 21.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.177 0.991 . . . . 0.0 112.789 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.08 -33.0 74.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.3 m -65.72 -33.24 75.42 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.4 ttt -72.21 123.01 22.04 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.398 1.479 . . . . 0.0 110.709 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? . . . . . 0 C--O 1.251 1.177 0 C-N-CA 124.952 1.301 . . . . 0.0 112.034 -179.455 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -99.12 143.57 29.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.45 1.1 . . . . 0.0 112.68 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -158.93 162.3 36.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.478 1.911 . . . . 0.0 111.419 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -136.75 72.88 1.43 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.502 1.521 . . . . 0.0 110.832 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -138.81 158.3 44.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.709 1.604 . . . . 0.0 111.729 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -71.56 116.29 11.73 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.916 1.286 . . . . 0.0 111.494 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -109.82 -17.64 13.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.903 1.281 . . . . 0.0 113.816 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.2 p -124.91 157.82 35.06 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.621 1.968 . . . . 0.0 111.107 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.7 p -156.06 170.66 21.67 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.424 1.49 . . . . 0.0 111.596 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.34 177.14 48.35 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.247 0.927 . . . . 0.0 113.61 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.43 16.63 2.95 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.91 1.684 . . . . 0.0 113.93 -174.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.15 84.1 37.31 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 125.542 1.537 . . . . 0.0 111.789 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.1 -12.94 28.45 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 122.978 2.452 . . . . 0.0 113.94 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -55.38 -41.27 72.41 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.23 1.412 . . . . 0.0 113.233 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.17 -27.1 9.59 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.802 1.191 . . . . 0.0 114.606 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.0 m -74.67 26.89 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.384 2.273 . . . . 0.0 115.346 -172.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.53 -24.6 65.49 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -168.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -24.85 55.23 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.781 -1.199 . . . . 0.0 113.393 173.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.81 -29.16 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.928 0.891 . . . . 0.0 111.159 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.37 -45.2 84.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 171.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.12 87.73 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.967 0.907 . . . . 0.0 112.109 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.57 -51.7 68.8 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.472 1.109 . . . . 0.0 112.004 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.78 -47.97 78.94 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.24 -48.48 80.27 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.728 0.695 . . . . 0.0 112.167 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -58.27 -53.0 63.22 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.406 1.082 . . . . 0.0 111.99 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.76 -45.07 95.47 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.737 1.215 . . . . 0.0 113.118 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -62.24 -45.11 94.77 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.107 0.963 . . . . 0.0 112.294 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.61 -42.11 78.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.886 0.766 . . . . 0.0 111.81 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -62.99 -53.36 55.2 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.066 0.946 . . . . 0.0 112.391 169.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.51 68.95 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.7 -7.41 44.44 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.387 1.875 . . . . 0.0 114.36 174.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.91 58.15 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.295 1.426 . . . . 0.0 114.708 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -126.98 60.97 44.6 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 118.859 1.33 . . . . 0.0 112.821 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.77 -14.93 47.03 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.397 2.731 . . . . 0.0 113.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -51.07 -41.29 59.83 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.394 1.078 . . . . 0.0 112.755 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -68.35 -51.65 42.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.393 0.677 . . . . 0.0 111.025 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.97 63.86 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.658 1.183 . . . . 0.0 113.123 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -65.08 -20.93 66.72 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -84.13 -0.55 52.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.075 1.35 . . . . 0.0 114.179 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.63 -52.34 65.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.255 0.934 . . . . 0.0 112.182 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.52 -18.5 64.39 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.93 -2.61 58.71 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.011 1.324 . . . . 0.0 113.117 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.5 m 62.17 21.91 12.77 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 127.801 2.44 . . . . 0.0 115.208 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -90.21 13.73 14.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.47 -53.28 67.73 Favored Pre-proline 0 CA--C 1.552 1.043 0 O-C-N 120.479 -1.388 . . . . 0.0 114.594 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -76.35 80.02 2.83 Favored 'Trans proline' 0 CA--C 1.547 1.158 0 C-N-CA 123.615 2.877 . . . . 0.0 112.384 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 pt -129.99 55.61 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.858 1.663 . . . . 0.0 112.267 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 54.7 76.95 0.22 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.121 1.768 . . . . 0.0 112.068 -172.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -54.19 -39.09 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.927 0.891 . . . . 0.0 111.134 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.9 t -58.02 -44.03 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.464 1.106 . . . . 0.0 112.193 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.57 77.55 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.206 -0.934 . . . . 0.0 112.292 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.38 -33.28 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -75.92 -27.96 57.82 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.295 0.952 . . . . 0.0 113.489 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -65.85 -17.43 64.64 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.598 1.159 . . . . 0.0 113.815 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -74.74 44.09 0.21 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.229 2.212 . . . . 0.0 113.131 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -65.67 -6.97 12.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.426 2.691 . . . . 0.0 115.703 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -89.98 -10.88 43.37 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.619 1.168 . . . . 0.0 113.393 170.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -86.54 -31.14 21.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.11 1.364 . . . . 0.0 113.336 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.42 168.25 22.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.703 2.001 . . . . 0.0 112.188 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.98 131.44 49.67 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -174.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -29.93 46.52 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.323 1.449 . . . . 0.0 114.303 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.75 -23.37 52.98 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.702 1.201 . . . . 0.0 113.411 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.1 mt -83.7 -22.59 31.99 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.299 1.04 . . . . 0.0 112.801 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.1 -40.33 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.307 1.043 . . . . 0.0 112.145 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -56.64 -64.39 2.51 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 124.614 1.166 . . . . 0.0 113.269 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.32 -32.54 41.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.264 1.976 . . . . 0.0 113.175 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.3 tp -53.53 -56.45 16.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.939 1.245 . . . . 0.0 110.757 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -54.65 -51.18 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.775 0.83 . . . . 0.0 111.841 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -58.54 -49.76 76.25 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.217 1.007 . . . . 0.0 113.36 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -65.92 -42.85 89.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.729 0.812 . . . . 0.0 112.465 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.69 -51.98 66.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.767 0.712 . . . . 0.0 111.454 171.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -65.34 -8.98 20.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.143 1.777 . . . . 0.0 114.347 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.3 m -87.86 -59.22 2.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.588 1.155 . . . . 0.0 110.547 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.77 -31.66 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -59.91 -30.91 69.35 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.337 0.972 . . . . 0.0 112.794 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.78 -44.09 81.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.509 1.923 . . . . 0.0 111.77 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.42 -46.76 46.65 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.623 1.169 . . . . 0.0 111.735 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.13 -32.94 68.62 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.4 m -66.76 -21.94 66.05 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.9 ttp -83.69 97.43 9.11 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.434 1.094 . . . . 0.0 110.375 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.262 1.825 . . . . 0.0 113.146 -176.604 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtp . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -89.47 -21.52 22.94 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.323 -1.486 . . . . 0.0 114.487 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -126.19 165.79 18.26 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.884 1.674 . . . . 0.0 110.698 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -129.55 160.18 34.02 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.157 1.383 . . . . 0.0 111.256 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -126.05 121.54 33.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.668 1.587 . . . . 0.0 110.001 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -62.03 142.42 57.53 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.009 0.524 . . . . 0.0 111.985 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -145.55 138.01 25.77 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.344 1.458 . . . . 0.0 110.872 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.5 t -160.98 139.19 9.69 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.009 1.323 . . . . 0.0 110.921 172.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t -88.81 118.26 28.38 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.556 1.142 . . . . 0.0 111.002 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.34 39.57 30.75 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.193 0.901 . . . . 0.0 115.128 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tt -134.0 83.2 2.02 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.544 1.538 . . . . 0.0 110.557 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.473 HG11 ' CD1' ' A' ' 19' ' ' ILE . 3.8 p -168.58 84.07 0.71 Allowed Pre-proline 0 N--CA 1.482 1.142 0 C-N-CA 126.643 1.977 . . . . 0.0 111.419 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.75 -34.67 5.2 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.208 1.939 . . . . 0.0 112.961 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -153.17 148.36 26.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.082 2.153 . . . . 0.0 109.649 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.7 56.0 1.94 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.229 0.919 . . . . 0.0 113.587 174.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -68.34 24.08 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 128.147 2.579 . . . . 0.0 115.401 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -59.14 -35.37 73.38 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.317 1.447 . . . . 0.0 113.774 -170.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -70.62 -42.95 70.25 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.376 -0.827 . . . . 0.0 111.375 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 12' ' ' VAL . 87.5 mt -65.08 -33.23 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.928 1.291 . . . . 0.0 111.427 -177.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.48 -43.62 65.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.635 1.107 . . . . 0.0 112.362 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.44 -43.85 65.92 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.04 -49.13 77.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.782 0.833 . . . . 0.0 111.813 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -56.26 -52.17 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.613 1.565 . . . . 0.0 111.629 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.32 68.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -70.55 -52.09 24.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 112.703 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.09 -40.89 97.4 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.662 1.185 . . . . 0.0 113.056 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -58.03 -43.53 86.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.135 1.374 . . . . 0.0 112.191 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.89 -44.61 86.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.653 0.781 . . . . 0.0 112.411 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -61.62 -50.17 73.65 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.348 1.059 . . . . 0.0 111.887 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.68 72.03 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.58 62.81 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.103 1.761 . . . . 0.0 114.392 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.0 2.72 28.32 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.998 1.285 . . . . 0.0 115.47 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -123.78 63.72 29.72 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 119.097 1.449 . . . . 0.0 112.273 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.12 -16.55 52.51 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.54 2.826 . . . . 0.0 113.733 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -50.74 -42.82 57.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.867 1.267 . . . . 0.0 112.53 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.99 -45.36 61.27 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.477 0.58 . . . . 0.0 111.616 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.02 70.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.993 0.917 . . . . 0.0 112.435 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -61.89 -19.05 62.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -84.75 -1.46 56.31 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.537 1.135 . . . . 0.0 113.852 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.27 -60.38 3.83 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.447 1.022 . . . . 0.0 112.379 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.82 -25.46 66.45 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.713 0.805 . . . . 0.0 112.908 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.03 -6.42 49.31 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.642 1.577 . . . . 0.0 113.755 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 t 61.9 40.2 12.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -125.74 25.87 6.8 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.786 1.634 . . . . 0.0 112.934 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -52.4 73.42 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.518 1.127 . . . . 0.0 113.975 167.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.57 84.41 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.882 2.388 . . . . 0.0 111.928 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 pt -132.51 79.79 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.617 1.567 . . . . 0.0 111.165 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m120 51.2 64.12 1.97 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.474 1.51 . . . . 0.0 112.304 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.83 -27.78 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.087 -1.008 . . . . 0.0 111.917 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t -67.39 -36.31 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 120.684 -1.26 . . . . 0.0 112.433 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.66 -45.55 74.95 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.921 0.888 . . . . 0.0 112.327 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.1 m -61.24 -21.73 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -66.55 -24.93 66.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.1 1.36 . . . . 0.0 113.387 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -95.29 5.06 52.73 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.819 1.647 . . . . 0.0 113.658 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -72.61 79.0 1.08 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.537 1.135 . . . . 0.0 111.113 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.3 m80 34.15 79.52 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.866 2.867 . . . . 0.0 114.323 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -66.34 84.41 0.1 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.574 1.55 . . . . 0.0 113.42 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -82.53 -0.35 46.22 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.24 1.816 . . . . 0.0 114.517 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 178.89 4.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.26 2.224 . . . . 0.0 111.375 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -58.08 143.5 43.41 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.395 1.078 . . . . 0.0 112.174 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -60.94 -20.88 62.85 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.0 -20.23 62.23 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.723 1.209 . . . . 0.0 113.688 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 tp -71.01 -26.91 63.33 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.397 1.079 . . . . 0.0 112.902 170.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.58 -29.03 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.153 0.981 . . . . 0.0 112.31 -176.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 -64.24 1.79 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.454 1.102 . . . . 0.0 112.498 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -65.36 -31.06 53.08 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 122.753 2.302 . . . . 0.0 113.516 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.3 -24.8 66.68 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.656 1.116 . . . . 0.0 113.281 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -87.38 -53.62 4.73 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.009 -1.057 . . . . 0.0 111.428 166.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -59.81 -57.15 14.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.288 1.835 . . . . 0.0 113.286 -171.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -61.25 -37.18 82.17 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.155 1.382 . . . . 0.0 112.976 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.65 -51.36 68.8 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.956 1.302 . . . . 0.0 110.04 173.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -64.47 -27.95 69.33 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -58.77 -55.16 38.71 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.006 -1.059 . . . . 0.0 111.229 170.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.16 -29.89 68.88 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -52.84 -36.88 59.43 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.321 0.964 . . . . 0.0 113.153 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -57.21 -41.23 79.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.0 1.32 . . . . 0.0 112.276 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.11 -23.51 21.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.356 1.462 . . . . 0.0 113.609 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.15 -19.07 65.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.752 1.221 . . . . 0.0 113.886 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.4 p 45.2 41.95 6.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.371 2.268 . . . . 0.0 114.985 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.2 mmt -124.3 157.29 35.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.737 2.015 . . . . 0.0 111.847 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.314 1.846 . . . . 0.0 112.926 -176.637 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.659 0.266 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -119.66 164.36 16.0 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.467 1.507 . . . . 0.0 111.137 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -126.2 158.72 34.89 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.667 1.587 . . . . 0.0 110.447 172.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -124.94 126.55 45.68 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.945 1.298 . . . . 0.0 110.336 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -71.88 166.59 21.79 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 121.53 0.681 . . . . 0.0 111.393 172.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -142.56 162.78 34.57 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.042 1.337 . . . . 0.0 111.071 171.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -72.35 161.2 31.16 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.634 0.774 . . . . 0.0 112.156 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.7 m -76.48 76.66 3.2 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.818 1.247 . . . . 0.0 111.755 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -67.38 162.78 22.22 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.733 1.613 . . . . 0.0 113.089 174.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.61 153.97 23.68 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.242 0.925 . . . . 0.0 112.172 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.95 42.47 0.95 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.003 0.921 . . . . 0.0 112.635 -173.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 p -132.79 88.02 39.09 Favored Pre-proline 0 N--CA 1.479 0.982 0 C-N-CA 125.887 1.675 . . . . 0.0 111.534 -175.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -73.39 157.29 49.7 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.824 2.35 . . . . 0.0 111.995 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -77.09 167.75 21.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.773 1.229 . . . . 0.0 112.415 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.48 -171.58 49.27 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.736 1.16 . . . . 0.0 113.84 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.1 m -65.93 -0.75 2.47 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.006 1.723 . . . . 0.0 115.163 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -54.67 -34.14 61.8 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.147 1.379 . . . . 0.0 113.893 -174.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.1 -20.51 60.93 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.1 mt -73.38 -37.42 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.663 1.185 . . . . 0.0 110.791 -177.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.51 -52.29 65.29 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.434 0.693 . . . . 0.0 111.125 171.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.35 86.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.163 0.985 . . . . 0.0 112.679 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -55.24 36.47 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.934 1.293 . . . . 0.0 111.805 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.88 -43.4 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.174 0.989 . . . . 0.0 111.975 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.31 43.03 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -68.71 -24.02 64.43 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.48 -39.07 39.39 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.134 1.373 . . . . 0.0 112.374 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -65.83 -46.76 77.36 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.231 -0.918 . . . . 0.0 112.433 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.23 -45.44 79.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.999 0.919 . . . . 0.0 112.946 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -66.8 -39.72 87.83 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 174.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.92 77.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.301 1.04 . . . . 0.0 112.927 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.36 86.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.117 1.767 . . . . 0.0 111.954 175.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 135.42 8.59 1.73 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.747 1.165 . . . . 0.0 115.018 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -124.89 64.27 42.42 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.952 1.301 . . . . 0.0 111.671 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.89 -21.14 64.46 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.294 2.663 . . . . 0.0 113.184 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -51.95 -44.2 63.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.772 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -62.88 -49.62 74.12 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.666 0.666 . . . . 0.0 111.366 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.06 -44.54 74.85 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.698 0.799 . . . . 0.0 112.886 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -62.11 -28.61 69.75 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.77 -3.56 26.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.516 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.15 -49.36 72.42 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.151 1.341 . . . . 0.0 112.936 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.54 -28.57 68.65 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.599 -0.688 . . . . 0.0 112.768 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.85 -6.64 56.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.524 1.53 . . . . 0.0 113.564 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t 52.09 55.97 8.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.178 2.191 . . . . 0.0 113.353 -172.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -121.67 15.47 11.06 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.726 1.611 . . . . 0.0 113.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.95 -52.81 70.94 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.52 78.01 3.44 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.124 2.55 . . . . 0.0 112.149 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 pt -126.09 73.69 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.024 1.73 . . . . 0.0 111.593 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 51.24 65.64 1.42 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.819 1.648 . . . . 0.0 112.572 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.2 mt -50.61 -46.74 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.609 1.164 . . . . 0.0 111.75 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.74 -32.6 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.482 1.113 . . . . 0.0 113.563 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.8 -53.01 11.23 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.221 -0.925 . . . . 0.0 111.471 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.98 -32.24 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -71.56 -17.17 62.32 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 173.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -92.5 6.15 48.2 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.562 1.545 . . . . 0.0 113.514 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -72.67 57.6 0.42 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.923 1.289 . . . . 0.0 113.001 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -64.25 -8.15 11.69 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.134 2.173 . . . . 0.0 113.39 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.54 -22.87 64.1 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 120.617 -1.302 . . . . 0.0 112.965 166.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -101.92 156.78 17.31 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.494 1.517 . . . . 0.0 112.081 168.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tp -79.11 -168.18 1.39 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.674 1.59 . . . . 0.0 112.103 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 59.22 24.71 13.18 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.359 1.863 . . . . 0.0 114.675 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -56.37 -24.72 46.29 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.55 -35.6 72.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.015 1.326 . . . . 0.0 112.608 172.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp -79.92 -17.9 51.87 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.904 1.682 . . . . 0.0 112.687 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.06 -19.09 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 125.054 1.341 . . . . 0.0 112.509 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -61.67 -60.38 10.53 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.718 -1.239 . . . . 0.0 113.55 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.73 -26.4 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.151 1.901 . . . . 0.0 113.299 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.68 -45.12 81.91 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.626 1.17 . . . . 0.0 112.841 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.5 p -63.57 -33.0 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.829 1.195 . . . . 0.0 113.271 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -61.67 -55.28 32.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.613 0.765 . . . . 0.0 110.582 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -58.15 -37.74 75.23 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.896 0.878 . . . . 0.0 113.248 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.68 -51.42 69.85 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.387 0.675 . . . . 0.0 111.65 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.87 -25.42 68.28 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -59.78 -55.58 32.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.136 -0.978 . . . . 0.0 112.077 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.42 -23.8 63.75 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -54.64 -31.05 56.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.305 0.957 . . . . 0.0 113.007 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -50.76 -52.82 37.08 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.701 1.2 . . . . 0.0 111.817 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.36 -36.04 22.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.384 1.074 . . . . 0.0 112.932 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.52 -26.48 64.55 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.2 t -66.04 -38.24 87.89 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.015 0.926 . . . . 0.0 112.424 173.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.2 ttt -72.26 147.21 46.66 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.756 1.222 . . . . 0.0 111.431 172.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 124.542 1.137 . . . . 0.0 113.79 176.774 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.065 0.459 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -146.03 162.15 38.53 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.438 1.895 . . . . 0.0 111.201 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -140.17 156.07 46.68 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.147 1.779 . . . . 0.0 111.492 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -142.81 145.08 32.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.543 1.537 . . . . 0.0 111.233 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -144.38 150.24 37.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.409 1.483 . . . . 0.0 111.909 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -144.78 162.24 37.25 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.552 1.941 . . . . 0.0 111.582 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -152.46 163.03 40.35 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.967 1.707 . . . . 0.0 111.865 174.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.5 m -144.95 97.18 2.98 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.736 1.614 . . . . 0.0 111.343 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 t -70.87 -61.91 1.59 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.564 1.146 . . . . 0.0 112.222 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.07 169.61 12.48 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 126.5 2.0 . . . . 0.0 113.433 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.38 105.78 3.06 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.265 1.426 . . . . 0.0 110.124 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t 48.2 79.95 0.32 Allowed Pre-proline 0 N--CA 1.486 1.326 0 C-N-CA 127.094 2.158 . . . . 0.0 112.364 -176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.51 -12.55 20.54 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.104 2.536 . . . . 0.0 114.345 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -82.73 166.18 19.31 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.88 1.272 . . . . 0.0 111.947 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.97 -79.56 0.78 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.387 1.47 . . . . 0.0 113.395 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 p -75.2 50.55 0.5 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.075 2.15 . . . . 0.0 114.067 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -55.59 -27.96 52.36 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.046 1.738 . . . . 0.0 115.568 -171.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.23 -35.41 59.02 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.048 -1.033 . . . . 0.0 113.05 175.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.57 -33.79 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.675 1.19 . . . . 0.0 110.363 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.6 -30.18 29.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.401 1.08 . . . . 0.0 113.105 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.95 85.93 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.497 1.044 . . . . 0.0 113.382 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -66.69 -50.69 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.14 0.976 . . . . 0.0 110.594 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -58.65 -40.58 83.87 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.963 0.905 . . . . 0.0 112.538 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.37 47.93 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.546 1.138 . . . . 0.0 112.487 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.64 -50.46 68.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.084 0.953 . . . . 0.0 111.683 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.0 -33.94 72.67 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -70.55 -44.31 67.71 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.026 -1.046 . . . . 0.0 112.407 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.67 -46.24 81.24 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.194 0.906 . . . . 0.0 112.194 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -44.56 94.35 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.115 0.966 . . . . 0.0 113.274 171.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.32 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.78 -9.45 57.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.5 6.53 41.18 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.264 1.411 . . . . 0.0 115.099 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -124.88 66.15 48.44 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.042 1.421 . . . . 0.0 112.357 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.15 -22.02 47.73 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.358 2.705 . . . . 0.0 113.436 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -56.04 -45.24 79.25 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.492 1.117 . . . . 0.0 111.812 175.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -57.83 -52.8 63.96 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.457 0.571 . . . . 0.0 111.322 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.9 70.18 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.008 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -60.48 -35.34 75.67 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.56 -0.39 8.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.71 -53.35 58.47 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.618 1.099 . . . . 0.0 112.377 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.16 -21.72 63.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.517 0.727 . . . . 0.0 112.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -78.2 -5.68 52.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 113.435 169.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 m 61.68 29.43 18.12 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.003 2.121 . . . . 0.0 114.75 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -103.76 21.67 15.83 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.756 1.222 . . . . 0.0 113.856 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -54.04 33.3 Favored Pre-proline 0 CA--C 1.551 1.006 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 169.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -76.11 78.84 3.08 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.184 2.589 . . . . 0.0 112.196 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -131.68 48.16 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.021 1.728 . . . . 0.0 112.444 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 58.0 84.81 0.1 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.382 1.873 . . . . 0.0 112.559 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.29 -34.79 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.038 0.935 . . . . 0.0 111.694 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.48 -30.15 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.808 1.243 . . . . 0.0 112.342 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.75 -56.86 4.35 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.482 -0.761 . . . . 0.0 111.756 170.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 m -60.45 -34.89 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -171.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -69.8 -15.6 63.14 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -117.86 10.6 13.25 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.021 2.128 . . . . 0.0 113.494 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -70.06 72.37 0.42 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.901 1.28 . . . . 0.0 112.553 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 41.28 46.79 2.84 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 128.747 2.819 . . . . 0.0 114.41 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.07 -173.67 4.7 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.536 1.534 . . . . 0.0 112.662 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -61.32 150.99 33.3 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.179 1.392 . . . . 0.0 112.052 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.47 -28.04 68.93 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -70.5 98.07 1.4 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.321 1.448 . . . . 0.0 112.684 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.84 -4.49 3.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.272 1.429 . . . . 0.0 113.919 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.81 -31.45 71.68 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.785 1.234 . . . . 0.0 113.508 172.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.33 -27.02 52.66 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.658 0.783 . . . . 0.0 112.647 172.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.65 -35.54 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 112.061 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.08 -62.55 2.7 Favored Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.0 -40.2 28.55 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.595 2.197 . . . . 0.0 112.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 tt -54.86 -48.98 72.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.278 1.031 . . . . 0.0 111.783 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.65 3.56 2.4 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.871 1.668 . . . . 0.0 114.335 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -47.92 3.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.34 1.456 . . . . 0.0 111.287 168.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -60.39 -39.42 87.25 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.292 1.037 . . . . 0.0 112.707 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.79 -46.41 68.78 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.774 -0.579 . . . . 0.0 112.108 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -70.95 -2.31 14.8 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -103.31 -40.8 6.25 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.802 -1.187 . . . . 0.0 112.606 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.45 -37.59 65.76 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.135 -0.978 . . . . 0.0 113.112 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -58.23 -36.46 73.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.409 1.004 . . . . 0.0 113.278 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -62.39 -43.91 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.889 2.076 . . . . 0.0 111.471 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.1 t -69.71 -38.72 77.02 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.525 1.13 . . . . 0.0 112.749 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.12 -27.56 69.47 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 t -70.22 -47.49 61.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.14 0.976 . . . . 0.0 112.62 174.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.1 ptm -79.61 -170.38 2.33 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.86 2.064 . . . . 0.0 113.11 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.774 2.03 . . . . 0.0 110.931 170.25 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -141.41 147.36 37.84 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.563 1.545 . . . . 0.0 110.684 171.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.1 10.38 0.41 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 126.487 1.915 . . . . 0.0 115.363 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -69.96 -26.38 64.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.451 1.5 . . . . 0.0 113.577 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -120.48 159.31 25.42 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.93 1.692 . . . . 0.0 111.006 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -145.19 -42.89 0.23 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.461 1.105 . . . . 0.0 112.913 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -142.16 169.11 18.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.278 1.431 . . . . 0.0 111.634 174.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -127.94 80.26 1.95 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.426 1.49 . . . . 0.0 112.424 -170.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -82.84 167.42 18.09 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.683 1.193 . . . . 0.0 112.796 171.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.57 102.14 0.24 Allowed Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.754 1.168 . . . . 0.0 113.038 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.8 67.32 1.38 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.551 1.541 . . . . 0.0 110.865 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -153.22 83.26 4.63 Favored Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 124.661 1.184 . . . . 0.0 112.231 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -76.51 88.8 1.33 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.987 3.124 . . . . 0.0 112.45 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -91.93 88.41 6.59 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.649 1.58 . . . . 0.0 110.709 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.0 -160.49 54.07 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 123.586 0.612 . . . . 0.0 112.933 -174.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 m -65.15 5.35 0.37 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -174.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -55.9 -32.9 64.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.214 1.406 . . . . 0.0 114.137 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.93 -36.1 81.49 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.175 -0.953 . . . . 0.0 113.066 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -66.38 -40.15 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 118.932 0.787 . . . . 0.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.03 -41.5 71.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.65 0.659 . . . . 0.0 112.126 174.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.75 46.24 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.986 0.914 . . . . 0.0 113.438 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.27 -45.69 87.42 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.738 1.215 . . . . 0.0 111.75 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -54.06 -45.78 71.77 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.727 1.211 . . . . 0.0 112.006 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.11 67.06 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.148 0.885 . . . . 0.0 112.961 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -62.09 -43.23 99.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.64 -43.3 94.13 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.681 0.793 . . . . 0.0 112.282 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.68 -41.47 99.12 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.26 1.424 . . . . 0.0 112.551 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.76 -41.35 77.44 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.553 1.141 . . . . 0.0 113.116 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -61.0 -52.81 63.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.751 1.22 . . . . 0.0 111.375 172.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.94 75.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.242 1.017 . . . . 0.0 113.672 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.52 -8.23 49.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.13 1.772 . . . . 0.0 114.1 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.29 15.6 62.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.584 1.088 . . . . 0.0 114.713 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -126.74 61.28 44.47 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.05 1.34 . . . . 0.0 112.342 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.93 -19.63 39.89 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.245 2.63 . . . . 0.0 113.369 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -57.31 -46.27 83.36 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.095 0.958 . . . . 0.0 111.637 175.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -58.45 -41.48 85.23 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.748 0.704 . . . . 0.0 112.135 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.84 -36.24 74.23 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.552 1.069 . . . . 0.0 112.999 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -67.02 -29.24 69.0 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.72 -18.5 65.37 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.327 0.967 . . . . 0.0 113.37 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.25 -44.89 93.89 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.689 1.131 . . . . 0.0 112.402 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.63 -14.43 62.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.679 1.192 . . . . 0.0 113.417 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.37 7.07 31.01 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.131 1.772 . . . . 0.0 112.609 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . 0.256 84.3 p 49.89 23.56 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.961 2.904 . . . . 0.0 115.883 -172.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -83.6 6.41 20.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.472 1.909 . . . . 0.0 114.276 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -52.52 60.95 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.75 81.57 2.64 Favored 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 123.179 2.586 . . . . 0.0 112.441 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 pt -128.24 65.05 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.963 1.705 . . . . 0.0 112.037 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 51.16 71.78 0.41 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.969 1.708 . . . . 0.0 112.476 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.3 mt -52.41 -42.61 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.296 1.038 . . . . 0.0 111.648 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t -58.48 -42.19 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.474 1.11 . . . . 0.0 111.789 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.45 -52.28 54.23 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.398 -0.814 . . . . 0.0 112.244 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 m -67.24 -29.11 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -80.01 -32.31 39.65 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -81.6 11.21 4.88 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.2 1.0 . . . . 0.0 113.144 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.96 -44.3 97.03 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.813 1.645 . . . . 0.0 114.085 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.1 p80 46.14 25.17 0.32 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 128.732 2.813 . . . . 0.0 118.129 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -68.08 -21.16 64.99 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 120.064 -1.648 . . . . 0.0 114.414 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -132.74 176.17 8.69 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.283 1.433 . . . . 0.0 113.131 -174.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 59' ' ' LEU . 5.0 mp -68.62 -175.92 0.73 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.622 1.969 . . . . 0.0 112.265 174.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 64.24 23.28 13.07 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.35 1.86 . . . . 0.0 114.103 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -19.07 11.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.46 1.504 . . . . 0.0 114.87 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -67.59 -22.19 65.38 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.971 1.708 . . . . 0.0 113.977 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt -81.99 -19.21 40.98 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.446 1.098 . . . . 0.0 112.902 167.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.18 -14.5 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 124.425 1.09 . . . . 0.0 112.279 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.46 -64.69 2.11 Favored Pre-proline 0 CA--C 1.55 0.947 0 O-C-N 120.671 -1.268 . . . . 0.0 112.749 162.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.66 -17.61 57.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.975 2.45 . . . . 0.0 114.224 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.3 tp -51.68 -42.88 62.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.292 1.037 . . . . 0.0 111.72 167.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.77 -41.61 74.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.216 1.006 . . . . 0.0 112.473 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.1 mmt-85 -63.26 -52.14 63.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.381 1.472 . . . . 0.0 111.383 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -62.56 -42.56 99.62 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.907 0.883 . . . . 0.0 112.842 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.76 -48.48 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.151 0.58 . . . . 0.0 112.012 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.56 -31.65 72.88 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.6 m -58.73 -50.63 73.21 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.078 0.951 . . . . 0.0 111.289 175.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.14 -24.78 61.51 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -56.91 -35.69 69.31 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.721 1.146 . . . . 0.0 112.573 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -53.7 -49.65 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.372 1.069 . . . . 0.0 111.577 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.73 -40.22 66.27 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.036 1.334 . . . . 0.0 112.815 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.02 75.66 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.084 0.954 . . . . 0.0 113.159 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 m -72.56 -9.74 58.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.47 101.98 7.6 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.645 1.111 . . . . 0.0 111.376 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt . . . . . 0 C--O 1.251 1.168 0 C-N-CA 127.866 2.466 . . . . 0.0 114.714 175.027 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -96.82 100.09 11.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.143 1.377 . . . . 0.0 111.423 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -144.39 159.29 42.97 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.121 1.368 . . . . 0.0 111.894 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -76.84 121.44 23.38 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.612 1.165 . . . . 0.0 111.943 177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -141.68 171.58 13.86 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.84 1.656 . . . . 0.0 111.821 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.6 m170 47.46 44.45 16.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.385 1.874 . . . . 0.0 114.254 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -99.33 -45.04 6.0 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.252 1.421 . . . . 0.0 113.463 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m 48.22 27.79 1.39 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 127.238 2.215 . . . . 0.0 115.823 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 p -68.82 164.25 22.36 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.312 1.845 . . . . 0.0 113.706 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.62 132.53 2.81 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.453 1.501 . . . . 0.0 112.164 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.09 36.62 0.76 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.273 1.429 . . . . 0.0 113.084 -171.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.64 86.98 54.03 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 126.134 1.774 . . . . 0.0 111.707 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -73.87 177.77 7.69 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 123.581 2.854 . . . . 0.0 112.212 172.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -125.18 134.31 52.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.956 1.702 . . . . 0.0 111.288 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.44 -40.82 1.89 Allowed Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.674 1.607 . . . . 0.0 114.605 173.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.7 p -74.11 25.08 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.259 2.224 . . . . 0.0 115.319 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -55.65 -36.69 67.33 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.871 1.668 . . . . 0.0 114.677 -168.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.98 -19.71 58.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 175.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.15 -30.63 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.456 1.503 . . . . 0.0 110.733 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -29.57 58.54 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.365 -0.834 . . . . 0.0 112.444 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -47.76 74.18 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.81 -49.15 77.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.294 1.038 . . . . 0.0 110.951 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -55.18 -49.21 72.47 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.397 0.679 . . . . 0.0 112.185 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.51 73.19 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.918 0.887 . . . . 0.0 113.037 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.0 m -56.15 -49.49 73.79 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.386 0.674 . . . . 0.0 112.112 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.61 -43.04 98.03 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.386 1.074 . . . . 0.0 113.022 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.82 -45.23 90.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.835 1.254 . . . . 0.0 112.357 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.02 -51.9 66.13 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.199 1.0 . . . . 0.0 112.123 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -62.72 -42.97 99.92 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.14 82.81 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.89 -7.45 45.76 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.149 1.78 . . . . 0.0 113.964 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.39 11.63 55.49 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.095 1.331 . . . . 0.0 114.736 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -124.5 59.48 20.54 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.303 1.441 . . . . 0.0 112.614 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.5 -20.18 48.01 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.287 2.658 . . . . 0.0 113.386 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -45.39 64.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.544 1.538 . . . . 0.0 112.101 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -62.17 -53.16 59.28 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.769 174.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.93 69.62 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 113.345 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -63.33 -20.23 65.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -88.54 -0.29 57.08 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.505 1.522 . . . . 0.0 114.251 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -60.64 -53.38 58.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.668 1.122 . . . . 0.0 112.339 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.76 -17.38 64.03 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -84.43 -5.11 59.25 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.13 1.372 . . . . 0.0 113.005 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 m 61.4 16.73 7.72 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 128.315 2.646 . . . . 0.0 115.272 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -88.34 20.65 3.19 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.45 1.5 . . . . 0.0 114.045 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.54 -57.66 21.25 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.53 79.39 3.34 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 122.993 2.462 . . . . 0.0 112.06 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 pt -123.78 61.86 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.855 1.662 . . . . 0.0 111.646 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.69 74.22 0.36 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.244 1.817 . . . . 0.0 111.845 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -53.59 -39.17 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.659 1.184 . . . . 0.0 111.515 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -61.46 -38.41 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.059 1.344 . . . . 0.0 112.293 175.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.04 -51.22 22.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.769 0.827 . . . . 0.0 112.085 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -61.33 -32.48 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -175.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -76.92 -34.17 57.69 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -86.01 0.36 53.53 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.433 1.493 . . . . 0.0 113.964 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -64.3 -2.57 2.24 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.893 1.677 . . . . 0.0 114.459 173.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.2 p80 49.65 32.34 4.99 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.754 2.422 . . . . 0.0 114.872 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -111.91 -19.01 12.53 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.04 1.736 . . . . 0.0 113.606 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -72.71 155.76 39.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.104 0.961 . . . . 0.0 112.697 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 mp -84.59 -64.38 1.17 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.116 1.366 . . . . 0.0 111.248 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -84.74 102.93 13.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.601 1.56 . . . . 0.0 112.458 -172.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -36.22 83.03 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.0 -22.96 64.05 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.97 -16.51 63.2 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.965 1.306 . . . . 0.0 113.295 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -66.59 -39.37 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.752 1.221 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.0 -59.22 11.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.23 -30.19 31.32 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.149 1.899 . . . . 0.0 113.11 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.09 -51.38 68.11 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.697 1.135 . . . . 0.0 111.389 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -53.74 -43.71 69.34 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.324 0.65 . . . . 0.0 112.69 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -61.53 -55.31 32.39 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.741 0.816 . . . . 0.0 112.189 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -63.03 -30.21 71.42 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.71 -56.64 7.47 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.494 0.718 . . . . 0.0 111.397 167.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.54 -39.0 78.97 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 t -63.14 -30.64 71.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.312 0.96 . . . . 0.0 113.014 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -80.17 -24.8 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -55.76 -37.55 68.68 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.842 1.201 . . . . 0.0 112.23 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -53.59 -40.87 66.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.165 1.786 . . . . 0.0 112.869 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.4 m -93.16 -24.41 18.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.063 1.345 . . . . 0.0 113.524 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.52 86.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.614 1.166 . . . . 0.0 112.536 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.7 m 57.42 12.48 1.47 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.958 2.103 . . . . 0.0 116.126 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.8 tpt -67.74 -50.84 55.18 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.772 1.629 . . . . 0.0 113.447 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? . . . . . 0 C--O 1.254 1.342 0 C-N-CA 125.286 1.434 . . . . 0.0 113.393 -171.693 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ptp . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -148.31 167.33 25.46 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.049 1.34 . . . . 0.0 111.865 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -59.4 119.93 8.38 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.657 0.783 . . . . 0.0 110.395 169.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -78.01 -78.57 0.14 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.874 0.87 . . . . 0.0 110.754 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -143.74 155.93 44.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.182 1.393 . . . . 0.0 112.331 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -81.41 170.38 16.04 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.034 1.733 . . . . 0.0 112.162 171.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -67.97 -68.21 0.4 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.541 1.136 . . . . 0.0 112.486 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.1 p -155.39 153.09 29.88 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.81 1.644 . . . . 0.0 111.865 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -159.64 170.9 20.59 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.219 1.408 . . . . 0.0 112.114 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.76 54.86 33.37 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 126.547 2.023 . . . . 0.0 116.086 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 mt -134.35 70.55 1.45 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.307 1.443 . . . . 0.0 112.035 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 p -154.05 88.21 3.53 Favored Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 125.122 1.369 . . . . 0.0 111.715 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.72 146.93 39.13 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 122.67 2.247 . . . . 0.0 111.633 172.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -142.29 -10.44 0.85 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 115.367 1.618 . . . . 0.0 115.367 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.56 0.25 84.43 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.036 1.303 . . . . 0.0 115.702 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.1 m -76.51 40.59 0.23 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.545 1.938 . . . . 0.0 113.723 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.83 -22.85 39.66 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.52 1.928 . . . . 0.0 115.814 -166.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -103.73 -41.14 6.02 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.696 1.198 . . . . 0.0 112.489 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 19' ' ' ILE . 5.1 mp -65.9 -27.71 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.415 1.486 . . . . 0.0 111.665 -178.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.57 -27.76 58.61 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.557 1.143 . . . . 0.0 113.773 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.84 58.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.009 0.822 . . . . 0.0 112.11 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -55.77 -52.85 62.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.569 1.547 . . . . 0.0 110.805 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.58 -40.44 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -55.33 36.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.117 1.326 . . . . 0.0 112.036 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.0 m -56.21 -50.87 70.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.206 0.603 . . . . 0.0 112.26 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.99 -42.22 98.91 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.689 0.796 . . . . 0.0 112.959 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.542 0.737 . . . . 0.0 112.622 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.39 -38.63 74.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.962 0.801 . . . . 0.0 112.398 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -65.62 -48.67 71.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.579 0.751 . . . . 0.0 111.28 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.13 76.73 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.548 1.139 . . . . 0.0 113.433 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -7.67 45.08 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.9 1.68 . . . . 0.0 114.336 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 13.08 67.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.878 1.228 . . . . 0.0 114.719 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -125.93 59.83 30.89 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.315 1.446 . . . . 0.0 112.635 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.09 -18.59 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.243 2.628 . . . . 0.0 113.488 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -54.81 -45.41 74.39 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.645 1.178 . . . . 0.0 111.885 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -62.02 -44.09 97.45 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.995 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.04 84.92 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.577 1.08 . . . . 0.0 112.712 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -61.04 -20.9 63.08 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.2 mt -68.37 -15.73 63.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.552 1.069 . . . . 0.0 113.542 173.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.14 -56.76 9.79 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.862 1.21 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 -24.17 65.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.162 0.985 . . . . 0.0 112.857 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -83.59 -4.15 58.32 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.889 1.275 . . . . 0.0 113.738 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.5 m 62.11 37.64 14.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.017 2.127 . . . . 0.0 114.643 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -122.9 21.4 9.9 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.683 1.593 . . . . 0.0 114.336 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.8 -50.55 87.37 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 120.449 -1.407 . . . . 0.0 114.436 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -77.55 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.159 2.573 . . . . 0.0 112.362 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.6 pt -129.65 50.79 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.024 1.73 . . . . 0.0 112.148 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 51.93 75.77 0.2 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.25 1.82 . . . . 0.0 112.705 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.17 -31.89 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.223 1.009 . . . . 0.0 111.367 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -60.59 -34.01 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.883 1.273 . . . . 0.0 112.251 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.1 -54.4 26.08 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.01 -1.056 . . . . 0.0 112.059 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 m -71.45 -0.72 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -175.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -107.07 -6.68 17.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.427 1.491 . . . . 0.0 114.775 168.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -98.21 -1.61 41.65 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.318 1.047 . . . . 0.0 112.736 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -74.69 39.83 0.13 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.159 2.584 . . . . 0.0 114.853 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -67.82 79.43 0.2 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.277 1.431 . . . . 0.0 112.15 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -148.02 101.28 3.27 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.812 2.445 . . . . 0.0 109.333 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 52.72 35.88 19.63 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.852 1.661 . . . . 0.0 114.339 -172.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 tt -137.54 131.99 32.54 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 110.615 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -55.73 101.48 0.05 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.015 2.126 . . . . 0.0 113.061 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -57.14 -31.66 65.57 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.346 1.058 . . . . 0.0 113.687 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.13 -27.92 69.41 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.753 1.221 . . . . 0.0 113.607 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 tp -78.74 -22.39 46.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.4 1.48 . . . . 0.0 112.425 174.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.38 -27.2 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.793 1.237 . . . . 0.0 112.799 -176.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.11 -60.7 8.82 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.178 0.991 . . . . 0.0 112.583 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -66.2 -28.23 48.21 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.288 1.992 . . . . 0.0 113.764 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -54.19 -53.71 49.69 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.1 1.318 . . . . 0.0 111.043 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.02 -49.45 75.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 122.817 0.447 . . . . 0.0 112.038 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -55.18 -58.43 7.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.499 0.719 . . . . 0.0 112.401 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 -58.75 -38.14 77.78 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.732 0.813 . . . . 0.0 112.962 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.11 -51.89 61.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.402 0.681 . . . . 0.0 111.549 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -56.93 -38.14 72.49 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.829 1.252 . . . . 0.0 113.761 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -51.78 -57.67 8.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.449 1.5 . . . . 0.0 111.889 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.73 -27.97 61.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.032 0.933 . . . . 0.0 113.105 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -56.97 -36.82 70.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -49.45 -48.78 47.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.765 1.226 . . . . 0.0 112.17 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 48.4 t -69.83 -54.17 14.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.7 1.2 . . . . 0.0 111.893 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.76 -27.66 66.72 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 t -70.16 -20.67 63.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.393 1.477 . . . . 0.0 113.848 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.2 tpt -79.17 97.13 6.08 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.321 1.048 . . . . 0.0 111.33 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.681 1.592 . . . . 0.0 112.277 174.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -140.96 147.88 39.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.509 1.523 . . . . 0.0 111.067 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -73.12 -61.94 1.64 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.197 0.999 . . . . 0.0 111.761 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -143.75 167.02 23.27 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.538 1.935 . . . . 0.0 111.138 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -81.76 0.65 38.18 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.472 1.509 . . . . 0.0 114.28 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.25 84.76 0.25 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.215 1.806 . . . . 0.0 112.848 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -114.9 -69.97 0.83 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.265 1.826 . . . . 0.0 111.158 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -93.09 149.8 20.97 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.782 1.233 . . . . 0.0 112.037 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -144.86 20.34 1.63 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.028 1.331 . . . . 0.0 114.474 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.7 91.89 2.11 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.408 1.48 . . . . 0.0 113.031 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.23 52.16 1.28 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.363 1.465 . . . . 0.0 113.348 -173.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -147.47 89.42 5.46 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.552 1.141 . . . . 0.0 111.864 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.15 -18.0 10.2 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 123.136 2.558 . . . . 0.0 113.994 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -71.4 163.76 27.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.961 1.304 . . . . 0.0 112.62 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.86 107.6 1.37 Allowed Glycine 0 CA--C 1.533 1.207 0 C-N-CA 125.627 1.584 . . . . 0.0 113.024 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -70.39 28.95 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 128.552 2.741 . . . . 0.0 116.567 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -54.39 -42.14 70.07 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.426 1.89 . . . . 0.0 114.514 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -79.08 -28.4 43.1 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.444 -0.785 . . . . 0.0 113.06 175.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.06 -31.01 33.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.948 0.899 . . . . 0.0 111.092 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.85 -42.56 65.33 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.339 1.427 . . . . 0.0 112.755 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.8 -48.29 66.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.662 0.785 . . . . 0.0 112.78 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.07 -35.97 81.97 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.81 -43.03 99.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.345 1.058 . . . . 0.0 111.525 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.0 -59.19 5.25 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.469 1.031 . . . . 0.0 112.465 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.6 p -62.32 -41.13 98.3 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.039 0.836 . . . . 0.0 113.126 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.29 -38.92 93.04 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.917 -1.114 . . . . 0.0 112.995 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.64 -51.64 64.3 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.069 0.948 . . . . 0.0 112.246 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.95 -36.05 78.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.778 1.172 . . . . 0.0 112.327 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.46 -53.23 60.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.685 1.194 . . . . 0.0 111.627 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.72 78.99 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -26.38 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.51 1.524 . . . . 0.0 113.904 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.59 6.5 9.48 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.746 1.165 . . . . 0.0 115.483 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -125.5 64.27 47.54 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 119.053 1.426 . . . . 0.0 111.948 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -66.38 -23.97 50.59 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.362 2.708 . . . . 0.0 113.339 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -52.5 -44.64 65.82 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.476 1.511 . . . . 0.0 112.897 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.91 -49.0 64.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.91 -47.83 70.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.233 1.013 . . . . 0.0 113.216 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.7 -25.58 66.51 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.35 -0.98 24.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 114.244 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -60.2 -60.78 3.28 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.721 1.146 . . . . 0.0 112.761 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.19 -23.37 63.91 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.67 -8.0 51.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.162 1.385 . . . . 0.0 113.379 168.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.01 35.38 13.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.816 2.046 . . . . 0.0 113.594 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -121.78 30.82 6.5 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.867 1.667 . . . . 0.0 112.747 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -61.87 -53.82 56.64 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 165.247 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.97 78.47 3.15 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 123.351 2.701 . . . . 0.0 112.475 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.0 pt -131.67 74.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.708 1.603 . . . . 0.0 112.158 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m120 53.82 70.33 0.61 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.809 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.29 -22.9 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.129 1.372 . . . . 0.0 112.604 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t -80.85 -30.37 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.031 1.332 . . . . 0.0 112.587 174.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.55 -43.18 73.46 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.888 -1.133 . . . . 0.0 112.236 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.12 -17.81 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -67.42 -27.86 67.42 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.558 1.143 . . . . 0.0 113.628 173.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -92.91 10.29 31.82 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.103 1.761 . . . . 0.0 112.95 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -72.04 69.33 0.73 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.473 1.509 . . . . 0.0 112.715 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 58.4 m80 43.55 48.7 6.36 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.726 2.41 . . . . 0.0 114.142 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -63.48 98.78 0.18 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.031 2.132 . . . . 0.0 112.251 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -86.78 78.23 9.13 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.168 0.987 . . . . 0.0 111.512 -170.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 tt 57.41 56.72 4.85 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.16 1.784 . . . . 0.0 111.077 -170.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -128.08 19.47 6.48 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.21 1.804 . . . . 0.0 112.981 -173.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -58.08 -23.87 56.36 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.086 1.354 . . . . 0.0 114.16 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.92 -36.93 85.02 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.001 0.92 . . . . 0.0 112.816 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.5 tp -79.37 -18.84 51.55 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.741 1.616 . . . . 0.0 112.897 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.7 t -64.05 -35.09 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 126.273 1.829 . . . . 0.0 112.971 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.22 -63.04 4.66 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.966 0.907 . . . . 0.0 113.223 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -67.65 -25.28 40.53 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 122.369 2.046 . . . . 0.0 113.737 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.39 -42.12 81.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.078 0.854 . . . . 0.0 111.441 168.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.39 -51.18 66.89 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.37 -0.831 . . . . 0.0 112.049 170.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -52.31 -60.91 2.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.206 1.002 . . . . 0.0 113.005 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.69 -37.88 88.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' A' ' 45' ' ' PHE . 79.3 mt -60.53 -49.2 78.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.221 0.608 . . . . 0.0 111.46 170.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.4 -37.9 82.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.601 1.16 . . . . 0.0 113.932 176.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -55.12 -52.5 63.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.362 0.983 . . . . 0.0 111.575 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 45' ' ' PHE . 69.6 mt -73.38 -26.65 61.09 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -40.73 71.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.06 . . . . 0.0 112.677 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -51.45 -48.28 62.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.156 1.382 . . . . 0.0 112.283 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.9 m -79.1 -38.03 37.23 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.543 1.137 . . . . 0.0 113.01 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.05 -46.46 89.06 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.603 1.161 . . . . 0.0 112.876 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 t 44.44 49.33 8.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.026 2.13 . . . . 0.0 114.267 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.4 ttt -129.19 45.87 2.73 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.517 1.527 . . . . 0.0 112.278 -172.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.126 1.37 . . . . 0.0 111.599 175.59 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 119.889 -0.1 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -126.61 -22.37 3.94 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 177.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -124.95 -65.93 1.0 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.795 1.238 . . . . 0.0 111.533 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 50.1 29.58 3.65 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.285 1.834 . . . . 0.0 113.877 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -68.91 148.48 50.14 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.322 1.049 . . . . 0.0 111.86 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -154.63 107.27 2.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.199 1.0 . . . . 0.0 111.615 175.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -145.15 113.27 6.5 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.113 1.365 . . . . 0.0 109.754 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.6 p -62.86 150.51 41.6 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.78 -0.575 . . . . 0.0 112.104 174.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.1 p -158.84 174.27 15.26 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.094 1.358 . . . . 0.0 112.143 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.83 25.74 3.2 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.29 1.424 . . . . 0.0 115.016 -176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tt -132.3 65.57 1.58 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.2 1.4 . . . . 0.0 111.108 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -157.37 88.72 2.54 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 125.538 1.535 . . . . 0.0 111.167 171.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.91 157.78 57.21 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.402 2.068 . . . . 0.0 111.417 170.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.18 173.9 12.95 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.429 1.492 . . . . 0.0 113.43 -177.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.59 -72.6 0.25 Allowed Glycine 0 N--CA 1.469 0.888 0 C-N-CA 126.004 1.764 . . . . 0.0 112.825 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -73.96 41.85 0.13 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.974 2.11 . . . . 0.0 114.292 -176.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -54.23 -34.41 60.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.738 2.015 . . . . 0.0 115.024 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -72.06 -39.36 69.08 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.364 -0.835 . . . . 0.0 112.559 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.6 mp -74.53 -38.24 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.422 1.089 . . . . 0.0 110.155 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -54.4 -39.81 67.63 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.055 0.942 . . . . 0.0 112.059 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.58 95.25 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.43 -54.92 41.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.353 1.061 . . . . 0.0 110.954 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -59.56 -42.24 91.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.365 1.066 . . . . 0.0 112.737 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.74 -53.76 54.0 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.674 1.19 . . . . 0.0 112.658 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.353 1.061 . . . . 0.0 112.251 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.73 -38.74 76.97 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -61.15 -43.8 98.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.874 0.87 . . . . 0.0 112.116 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.56 -41.32 69.66 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.32 1.048 . . . . 0.0 113.444 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.22 -54.12 49.56 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.976 1.31 . . . . 0.0 111.074 173.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.88 73.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.582 1.153 . . . . 0.0 113.936 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.07 -11.84 61.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.861 1.664 . . . . 0.0 114.195 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.29 13.51 55.74 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.932 1.254 . . . . 0.0 114.602 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.96 58.69 30.89 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.969 1.308 . . . . 0.0 112.683 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.31 -19.69 55.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.137 2.558 . . . . 0.0 113.262 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -53.9 -48.63 69.93 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.454 1.102 . . . . 0.0 112.369 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -65.28 -39.24 92.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.654 -0.654 . . . . 0.0 111.461 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.82 94.1 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.88 0.764 . . . . 0.0 112.226 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.53 -33.33 71.26 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.36 -10.6 17.41 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -63.31 -48.1 79.47 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.351 1.432 . . . . 0.0 111.708 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -69.21 -24.88 64.09 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.073 0.949 . . . . 0.0 112.645 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.03 -6.06 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.88 1.272 . . . . 0.0 113.347 171.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 m 59.63 39.05 21.73 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.719 2.008 . . . . 0.0 114.02 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -121.54 24.46 9.83 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.741 1.616 . . . . 0.0 114.062 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.32 -47.41 99.08 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 120.333 -1.479 . . . . 0.0 114.641 165.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.76 77.09 4.21 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.971 2.447 . . . . 0.0 112.572 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 pt -130.72 51.77 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.744 1.618 . . . . 0.0 112.667 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 58.99 78.18 0.27 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.866 1.666 . . . . 0.0 112.435 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -51.85 -48.29 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.173 1.389 . . . . 0.0 111.56 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.94 -29.03 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.028 0.931 . . . . 0.0 113.503 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.72 -58.42 3.36 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.259 0.936 . . . . 0.0 111.814 170.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -63.05 -35.48 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -69.46 -24.67 63.83 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -101.76 11.13 39.27 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.568 1.947 . . . . 0.0 112.709 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -69.8 71.76 0.36 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.916 1.687 . . . . 0.0 113.105 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 39.28 55.77 2.19 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 128.857 2.863 . . . . 0.0 113.845 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -99.7 -169.27 1.72 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.061 1.744 . . . . 0.0 111.857 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -58.79 143.93 45.64 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.701 -1.249 . . . . 0.0 112.446 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.4 tp -66.09 -24.25 66.67 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.748 1.219 . . . . 0.0 113.063 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.17 91.59 0.52 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.57 1.548 . . . . 0.0 112.168 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -58.12 -16.3 12.71 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.704 1.601 . . . . 0.0 113.806 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -56.53 -32.95 65.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.544 1.537 . . . . 0.0 113.791 171.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.33 -27.6 38.33 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.981 0.913 . . . . 0.0 111.934 171.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.8 -29.15 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.113 1.365 . . . . 0.0 112.217 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.14 -57.55 16.04 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.388 1.475 . . . . 0.0 113.924 174.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.78 -35.34 36.71 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.745 1.63 . . . . 0.0 112.23 173.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.67 -21.98 66.66 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 p -91.13 -46.63 7.99 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.686 1.585 . . . . 0.0 112.332 167.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -59.46 -50.4 74.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.498 1.119 . . . . 0.0 113.22 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.01 -41.88 99.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.201 1.0 . . . . 0.0 112.367 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.96 -37.9 82.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.939 0.896 . . . . 0.0 112.134 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.11 -34.36 73.38 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.01 0.924 . . . . 0.0 113.108 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.2 m -64.75 -53.56 45.12 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.56 -0.712 . . . . 0.0 111.695 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.84 -26.5 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.27 -44.12 79.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.923 . . . . 0.0 112.118 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -49.76 76.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.854 0.862 . . . . 0.0 111.574 174.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.48 -31.82 72.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.019 1.328 . . . . 0.0 113.583 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.03 -35.63 42.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.301 1.441 . . . . 0.0 113.228 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 t -63.45 -53.35 53.56 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.278 1.431 . . . . 0.0 112.123 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 mtp -79.67 154.12 28.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.264 0.626 . . . . 0.0 111.207 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.895 1.678 . . . . 0.0 113.163 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -119.99 122.62 41.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.857 1.263 . . . . 0.0 110.699 178.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -79.37 122.87 26.91 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.063 0.945 . . . . 0.0 111.483 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -127.4 -52.56 1.38 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.906 1.282 . . . . 0.0 112.979 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 p80 45.98 25.26 0.3 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.938 2.495 . . . . 0.0 116.332 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -103.97 66.85 0.85 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.205 1.802 . . . . 0.0 111.098 -173.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -148.68 148.03 29.59 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.371 1.468 . . . . 0.0 111.906 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 p -87.95 166.25 14.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.679 1.592 . . . . 0.0 112.254 171.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -77.31 -63.08 1.45 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.03 0.932 . . . . 0.0 112.094 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.12 170.28 39.35 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.971 1.272 . . . . 0.0 113.417 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.92 109.0 3.72 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.069 1.348 . . . . 0.0 110.54 -174.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 t 41.13 78.97 0.35 Allowed Pre-proline 0 N--CA 1.488 1.428 0 C-N-CA 128.568 2.747 . . . . 0.0 113.457 -173.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -72.63 163.3 38.89 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 123.701 2.934 . . . . 0.0 113.116 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -76.68 -49.48 16.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.819 1.248 . . . . 0.0 112.987 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.69 -163.11 38.7 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.86 1.695 . . . . 0.0 114.185 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 m -62.76 -5.11 2.47 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -52.85 -40.13 63.13 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.125 1.37 . . . . 0.0 113.282 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -68.9 -37.66 79.12 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.39 0.996 . . . . 0.0 113.295 176.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.31 -54.13 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.403 1.481 . . . . 0.0 109.798 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -64.98 -35.77 82.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.167 0.587 . . . . 0.0 112.451 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.4 78.87 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -55.18 -54.93 37.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.657 1.183 . . . . 0.0 110.786 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.98 -44.62 94.36 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.496 0.719 . . . . 0.0 112.664 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.3 -55.46 34.53 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.729 1.15 . . . . 0.0 113.015 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.5 t -59.67 -48.71 80.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.328 0.651 . . . . 0.0 112.218 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.58 -35.91 82.2 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -62.02 -48.93 78.09 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.441 -0.787 . . . . 0.0 111.95 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -37.08 79.76 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.353 0.978 . . . . 0.0 112.822 177.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.27 -47.82 84.25 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.418 1.487 . . . . 0.0 111.784 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.11 76.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.467 1.107 . . . . 0.0 113.853 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.5 -13.29 60.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.994 1.718 . . . . 0.0 114.489 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.49 15.14 55.91 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.64 1.114 . . . . 0.0 114.423 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -124.52 59.69 21.55 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.937 1.295 . . . . 0.0 112.239 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -68.93 -15.39 40.13 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.0 2.466 . . . . 0.0 113.264 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -52.33 -53.74 40.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.687 1.195 . . . . 0.0 112.186 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -66.66 -38.25 86.45 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.557 -0.714 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.79 90.42 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.768 0.713 . . . . 0.0 112.504 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -62.79 -31.37 72.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 113.613 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.35 -10.41 24.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.277 1.031 . . . . 0.0 113.616 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.68 -50.41 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.018 1.281 . . . . 0.0 112.097 170.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.19 -29.54 69.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.338 1.055 . . . . 0.0 112.627 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.9 -2.7 52.13 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.616 1.167 . . . . 0.0 113.549 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 t 54.1 56.14 7.39 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.307 2.243 . . . . 0.0 113.386 -173.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -127.93 17.06 6.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.658 1.983 . . . . 0.0 113.051 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.93 99.52 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 120.529 -1.357 . . . . 0.0 114.478 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.98 79.84 3.19 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.002 2.468 . . . . 0.0 112.583 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 pt -131.33 45.82 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 126.09 1.756 . . . . 0.0 112.672 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 62.07 84.21 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.816 2.046 . . . . 0.0 112.246 -175.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.6 -42.38 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 t -56.52 -31.81 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.506 1.523 . . . . 0.0 112.737 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.49 34.32 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.789 0.836 . . . . 0.0 112.647 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.48 -29.18 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.589 1.086 . . . . 0.0 113.254 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -5.05 58.17 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -73.67 -12.6 60.78 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.001 0.92 . . . . 0.0 113.463 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.29 60.45 0.6 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.361 1.865 . . . . 0.0 112.931 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -74.49 32.61 0.09 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.222 2.209 . . . . 0.0 113.868 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.9 -162.97 0.31 Allowed 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 127.702 2.401 . . . . 0.0 112.48 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -62.19 -9.26 7.23 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.313 1.845 . . . . 0.0 115.02 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.84 169.44 6.56 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.156 1.382 . . . . 0.0 112.418 174.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -74.92 78.04 2.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.972 1.309 . . . . 0.0 112.854 -170.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -55.17 -34.25 63.66 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.275 1.43 . . . . 0.0 113.719 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.39 -29.74 69.15 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.287 1.035 . . . . 0.0 113.254 174.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -20.46 49.94 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.863 1.665 . . . . 0.0 113.05 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -75.44 -27.6 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.686 1.195 . . . . 0.0 112.645 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.26 -59.59 12.89 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 121.014 -1.053 . . . . 0.0 113.564 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.01 -27.95 42.04 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.521 2.147 . . . . 0.0 113.592 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.32 -47.04 79.52 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.169 0.895 . . . . 0.0 111.2 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 t -55.18 -44.41 75.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.344 0.657 . . . . 0.0 112.249 176.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -57.92 -59.91 4.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.448 1.099 . . . . 0.0 112.038 174.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.7 -34.64 78.77 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -173.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.5 -40.72 93.38 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.075 0.852 . . . . 0.0 112.65 172.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.89 -37.5 82.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.329 1.052 . . . . 0.0 112.561 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 m -57.86 -57.06 14.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.852 1.261 . . . . 0.0 112.247 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.62 -27.85 65.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.11 -46.31 68.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.82 0.848 . . . . 0.0 111.835 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.91 -50.87 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.528 0.731 . . . . 0.0 112.463 176.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.12 -42.64 99.44 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.338 0.655 . . . . 0.0 112.307 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.09 -48.12 77.4 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.552 1.141 . . . . 0.0 113.3 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.8 m -69.43 -31.55 69.96 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.54 1.136 . . . . 0.0 113.73 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 46.7 ttm -66.26 139.11 58.05 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.847 0.859 . . . . 0.0 111.81 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.256 1.822 . . . . 0.0 113.313 -178.438 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 mtm . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 118.942 -0.552 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -65.84 143.36 57.52 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.519 1.054 . . . . 0.0 111.342 172.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -128.32 52.53 1.89 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.825 1.65 . . . . 0.0 111.179 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -64.41 -33.29 75.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.111 0.964 . . . . 0.0 112.968 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -91.25 78.96 5.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.954 1.702 . . . . 0.0 110.196 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -132.79 138.19 47.05 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.269 1.428 . . . . 0.0 111.329 -177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -148.93 160.0 43.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.211 1.404 . . . . 0.0 112.441 -174.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -143.99 152.66 41.34 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.05 1.74 . . . . 0.0 111.288 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 m -156.46 166.3 33.82 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.72 2.008 . . . . 0.0 111.188 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.89 58.59 10.46 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.81 1.195 . . . . 0.0 114.948 168.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.64 102.81 5.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.459 1.504 . . . . 0.0 110.024 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.9 t 43.46 79.35 0.34 Allowed Pre-proline 0 N--CA 1.485 1.279 0 C-N-CA 127.505 2.322 . . . . 0.0 112.704 -170.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -67.64 158.3 57.8 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.517 2.145 . . . . 0.0 112.078 177.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -134.98 -59.59 0.79 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.592 1.557 . . . . 0.0 110.991 -177.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -136.39 -179.7 16.97 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 126.107 1.813 . . . . 0.0 112.407 173.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -64.97 2.06 0.8 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -173.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.16 -50.72 48.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.237 1.815 . . . . 0.0 114.408 -172.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.8 -26.95 33.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.284 -0.885 . . . . 0.0 113.218 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mp -72.78 -43.68 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.788 1.235 . . . . 0.0 111.678 -174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.59 -35.06 73.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.394 -0.816 . . . . 0.0 111.891 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.88 -38.11 54.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.967 0.907 . . . . 0.0 113.329 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -55.84 -50.49 70.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.231 1.412 . . . . 0.0 111.758 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.87 -38.47 78.86 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.25 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.714 0.805 . . . . 0.0 113.078 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.43 -30.31 71.35 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.52 -51.07 25.59 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.271 0.941 . . . . 0.0 112.358 172.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -58.53 -40.55 83.25 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.516 -0.74 . . . . 0.0 112.627 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.42 -31.55 65.98 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -72.51 -48.06 43.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.631 0.772 . . . . 0.0 111.105 174.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.29 72.54 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.69 1.196 . . . . 0.0 113.233 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.25 -11.49 59.44 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.627 1.571 . . . . 0.0 114.408 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.27 14.8 63.44 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.969 1.271 . . . . 0.0 114.513 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -124.31 58.16 15.68 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 112.527 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.33 -19.58 55.73 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.108 2.539 . . . . 0.0 113.42 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -54.73 -37.44 65.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -58.06 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.538 0.608 . . . . 0.0 110.702 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -44.79 64.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.236 1.014 . . . . 0.0 113.341 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -63.03 -23.03 67.26 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.37 -2.11 54.99 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.231 1.412 . . . . 0.0 114.066 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CD1' HD23 ' A' ' 74' ' ' LEU . 15.2 t80 -60.2 -51.57 69.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.65 1.114 . . . . 0.0 112.294 175.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.68 -25.3 67.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.349 1.06 . . . . 0.0 113.085 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -88.62 3.21 51.37 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.279 1.432 . . . . 0.0 113.143 174.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.4 m 55.17 31.95 17.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.871 2.068 . . . . 0.0 113.982 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -101.34 13.47 34.97 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.876 2.07 . . . . 0.0 113.25 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' CE2' HD22 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -57.03 -56.61 31.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 120.825 -1.172 . . . . 0.0 113.847 169.061 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.05 81.24 2.26 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.296 2.664 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 pt -125.04 76.39 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.028 1.731 . . . . 0.0 111.418 175.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.0 t30 50.15 52.01 15.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.508 1.523 . . . . 0.0 112.708 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.8 mt -52.88 -43.81 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.784 1.633 . . . . 0.0 111.536 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -59.73 -21.65 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.823 1.649 . . . . 0.0 114.302 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.01 -44.99 8.56 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.397 1.079 . . . . 0.0 112.893 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.63 -30.36 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 119.711 1.141 . . . . 0.0 112.818 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -65.2 -34.84 79.33 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.77 0.828 . . . . 0.0 112.737 170.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -66.96 -29.43 69.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.259 1.423 . . . . 0.0 112.169 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.51 66.23 0.69 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.826 1.65 . . . . 0.0 111.837 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 39.41 0.07 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.781 2.432 . . . . 0.0 114.27 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.58 43.73 0.19 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.731 2.412 . . . . 0.0 113.7 -174.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -124.48 172.11 9.44 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.969 2.107 . . . . 0.0 111.524 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.01 -32.36 73.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.861 0.864 . . . . 0.0 113.266 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -138.63 127.99 24.44 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.749 1.62 . . . . 0.0 111.654 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -62.83 -20.05 64.68 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -64.67 -15.86 61.95 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 174.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.5 -19.98 62.88 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.568 1.147 . . . . 0.0 112.892 171.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.21 -30.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.401 1.48 . . . . 0.0 112.835 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.77 -62.77 3.62 Favored Pre-proline 0 N--CA 1.475 0.788 0 CA-C-O 118.244 -0.884 . . . . 0.0 112.098 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -65.41 -31.61 51.54 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.425 2.084 . . . . 0.0 113.209 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.4 tp -51.31 -55.45 18.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.967 1.258 . . . . 0.0 111.067 170.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.6 t -63.37 -50.47 69.81 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.876 -0.515 . . . . 0.0 112.314 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -55.46 -50.72 69.12 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.562 1.545 . . . . 0.0 112.993 -175.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.65 -43.18 94.47 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.591 1.156 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.83 -48.82 80.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.595 0.758 . . . . 0.0 111.825 172.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.33 -39.29 86.55 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.355 1.462 . . . . 0.0 113.35 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.0 m -58.81 -44.76 90.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.226 1.01 . . . . 0.0 111.618 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 45' ' ' PHE . 8.7 mp -75.19 -31.14 60.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -54.65 -39.27 67.84 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.365 1.066 . . . . 0.0 112.551 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -50.4 -41.03 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.417 1.887 . . . . 0.0 113.047 172.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.3 t -88.0 -37.69 16.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.972 1.309 . . . . 0.0 112.667 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.62 98.41 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.296 1.438 . . . . 0.0 113.823 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.2 m 34.48 69.34 0.16 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.8 2.44 . . . . 0.0 114.514 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -177.18 1.3 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.964 1.706 . . . . 0.0 114.891 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.912 2.085 . . . . 0.0 111.359 170.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -128.6 102.71 6.72 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.247 -1.533 . . . . 0.0 111.909 -171.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -60.73 -49.62 76.77 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.801 1.24 . . . . 0.0 112.654 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -100.18 122.45 43.03 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.315 1.446 . . . . 0.0 111.075 175.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -126.63 -0.23 6.8 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.72 1.608 . . . . 0.0 113.54 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -74.56 176.62 6.71 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.376 1.47 . . . . 0.0 112.4 173.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -150.81 152.67 34.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.763 1.625 . . . . 0.0 112.13 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -161.38 158.45 26.87 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.278 1.431 . . . . 0.0 111.809 167.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 p -81.88 -14.75 55.79 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.418 1.487 . . . . 0.0 113.616 169.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.1 173.23 13.22 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.671 1.605 . . . . 0.0 114.42 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mt -144.94 120.03 10.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.578 1.951 . . . . 0.0 110.535 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 t 34.8 72.13 0.74 Allowed Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 128.502 2.721 . . . . 0.0 113.007 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.62 122.66 9.87 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.053 2.502 . . . . 0.0 111.913 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -136.17 152.35 50.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.106 1.762 . . . . 0.0 111.948 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.45 68.54 1.62 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.74 1.162 . . . . 0.0 112.311 -175.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.5 p 50.44 14.62 0.17 Allowed 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 128.835 2.854 . . . . 0.0 116.84 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.0 -37.02 78.48 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.57 1.548 . . . . 0.0 114.151 -172.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.96 -40.82 95.58 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.285 0.948 . . . . 0.0 112.305 173.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.35 -49.1 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.583 1.153 . . . . 0.0 109.542 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.33 -49.06 70.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.038 0.935 . . . . 0.0 112.196 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.08 83.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.73 0.812 . . . . 0.0 112.908 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -60.53 -54.34 46.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.501 1.52 . . . . 0.0 112.045 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.11 -30.8 71.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.845 0.858 . . . . 0.0 113.276 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.65 5.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.945 1.248 . . . . 0.0 112.427 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 m -57.31 -44.33 84.03 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.25 0.62 . . . . 0.0 112.556 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.07 -40.55 98.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -62.69 -45.07 94.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.717 0.807 . . . . 0.0 112.373 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.04 -45.88 71.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.228 0.922 . . . . 0.0 112.031 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -61.18 -53.27 59.02 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 111.96 173.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.61 74.2 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.693 1.197 . . . . 0.0 113.796 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.87 -11.99 61.06 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.034 1.734 . . . . 0.0 114.341 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.98 8.33 48.22 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.791 1.186 . . . . 0.0 115.332 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.36 65.21 57.96 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 119.1 1.45 . . . . 0.0 112.455 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.3 -17.54 54.25 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.189 2.593 . . . . 0.0 113.872 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.24 -36.97 53.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.665 1.186 . . . . 0.0 113.074 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -69.93 -53.8 16.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.357 0.663 . . . . 0.0 111.061 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.64 -44.45 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.371 1.068 . . . . 0.0 113.521 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -64.72 -14.83 60.17 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.75 3.7 55.14 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.432 1.493 . . . . 0.0 113.777 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.99 -58.42 8.51 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.591 1.087 . . . . 0.0 112.109 175.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.5 -25.96 64.31 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.404 0.682 . . . . 0.0 112.759 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.86 -5.39 48.19 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.55 1.14 . . . . 0.0 113.096 170.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 m 58.27 39.94 25.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.943 2.497 . . . . 0.0 114.907 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -116.87 29.6 7.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.905 1.282 . . . . 0.0 113.058 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.97 -54.47 56.14 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.432 1.093 . . . . 0.0 113.558 164.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.08 83.4 2.14 Favored 'Trans proline' 0 CA--C 1.546 1.098 0 C-N-CA 123.188 2.592 . . . . 0.0 112.628 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 pt -133.81 64.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.602 1.561 . . . . 0.0 112.642 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 48.82 79.75 0.07 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.845 1.658 . . . . 0.0 113.089 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.51 -36.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 121.091 -1.006 . . . . 0.0 111.561 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.4 -21.61 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.974 1.71 . . . . 0.0 113.14 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.5 -50.37 6.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.403 1.081 . . . . 0.0 112.212 171.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.7 m -63.98 -26.6 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.95 -15.2 63.54 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -119.19 23.93 11.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.407 2.283 . . . . 0.0 112.194 -172.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.78 34.9 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 128.152 2.581 . . . . 0.0 115.679 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 50.01 74.5 0.21 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 128.078 2.551 . . . . 0.0 113.021 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -134.37 -169.23 2.29 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.103 2.161 . . . . 0.0 111.255 -174.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -57.22 143.82 37.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.568 -1.333 . . . . 0.0 112.624 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.22 -10.1 59.2 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.982 1.313 . . . . 0.0 113.42 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.05 87.02 0.74 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.439 1.496 . . . . 0.0 112.707 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -55.88 -16.98 5.35 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.231 1.812 . . . . 0.0 114.486 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -58.76 -32.06 68.92 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.394 1.478 . . . . 0.0 113.421 170.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 tp -82.8 -26.18 32.0 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.588 1.155 . . . . 0.0 112.563 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.13 -32.83 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.676 1.19 . . . . 0.0 112.401 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -51.49 -63.14 2.2 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-O 118.13 -0.938 . . . . 0.0 113.089 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.15 -35.59 63.27 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.111 1.874 . . . . 0.0 112.73 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 63.0 tp -54.81 -55.19 32.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.231 1.012 . . . . 0.0 111.744 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.88 -42.8 99.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.456 0.702 . . . . 0.0 112.299 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -58.52 -56.24 24.64 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.011 1.325 . . . . 0.0 112.713 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -58.9 -42.21 89.04 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.359 0.981 . . . . 0.0 112.46 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.02 -55.64 32.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.599 1.159 . . . . 0.0 111.299 170.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.0 -35.31 74.76 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.0 m -59.59 -54.87 41.47 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.291 1.036 . . . . 0.0 111.268 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.3 -24.44 62.14 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -54.15 -33.58 58.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.401 1.001 . . . . 0.0 112.699 171.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.45 -50.22 70.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.965 0.906 . . . . 0.0 111.609 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.4 m -77.42 -38.56 49.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.781 0.832 . . . . 0.0 113.103 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.38 80.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.243 1.017 . . . . 0.0 113.543 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 t -73.33 -50.46 21.94 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.548 1.139 . . . . 0.0 112.132 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -178.7 3.82 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.142 1.377 . . . . 0.0 112.872 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? . . . . . 0 C--O 1.254 1.336 0 C-N-CA 127.475 2.31 . . . . 0.0 112.818 -178.742 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -130.19 114.99 16.38 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.323 1.449 . . . . 0.0 110.343 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -132.09 137.99 47.96 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.141 1.376 . . . . 0.0 111.448 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -140.47 120.14 13.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.96 1.704 . . . . 0.0 110.095 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -63.65 155.55 29.51 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.17 0.509 . . . . 0.0 112.265 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -149.52 150.86 32.95 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.164 1.386 . . . . 0.0 110.682 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -132.8 92.06 2.99 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.426 1.491 . . . . 0.0 110.738 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m -85.91 94.22 9.13 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.303 1.441 . . . . 0.0 111.627 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 t -70.62 140.58 51.66 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.299 -0.876 . . . . 0.0 111.908 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.55 118.75 0.68 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.418 1.485 . . . . 0.0 113.319 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.6 tp -144.47 100.68 3.57 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.94 1.296 . . . . 0.0 110.789 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 t 51.04 78.91 0.37 Allowed Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 127.319 2.248 . . . . 0.0 112.862 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.76 169.87 19.14 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.464 2.776 . . . . 0.0 112.759 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -133.75 130.45 38.09 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.735 1.614 . . . . 0.0 111.501 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.7 -53.71 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.478 1.99 . . . . 0.0 111.797 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 p -74.4 51.17 0.43 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.947 2.099 . . . . 0.0 114.198 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.88 -68.94 0.33 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.515 -1.365 . . . . 0.0 111.371 174.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.0 -34.85 77.31 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.386 -0.821 . . . . 0.0 112.925 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mp -62.97 -42.61 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 123.767 0.827 . . . . 0.0 110.876 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HB3' HG21 ' A' ' 73' ' ' THR . 26.5 mm-40 -58.81 -46.32 87.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.322 0.965 . . . . 0.0 112.741 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.25 87.33 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.623 0.647 . . . . 0.0 112.283 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -59.52 -56.21 24.8 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.373 1.469 . . . . 0.0 111.251 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.64 -38.1 83.69 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.377 1.071 . . . . 0.0 112.946 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -53.27 60.08 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 120.507 1.503 . . . . 0.0 111.832 174.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.98 -52.34 65.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.472 1.109 . . . . 0.0 112.044 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -69.95 -27.75 65.0 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -74.99 -42.03 58.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.865 -1.147 . . . . 0.0 112.231 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -56.58 -44.33 80.91 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.806 0.73 . . . . 0.0 112.311 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -61.99 -44.81 95.95 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -33.67 76.29 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.293 1.037 . . . . 0.0 113.313 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -7.06 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.042 1.737 . . . . 0.0 114.085 172.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.26 11.63 58.27 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.118 1.342 . . . . 0.0 114.46 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -125.93 59.85 31.01 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.049 1.34 . . . . 0.0 112.726 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -65.48 -21.15 60.64 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.214 2.609 . . . . 0.0 113.211 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -54.66 -40.45 69.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.914 1.286 . . . . 0.0 112.87 174.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.0 -50.64 65.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.623 0.647 . . . . 0.0 111.207 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.79 74.86 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.921 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -59.09 -28.46 66.52 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.78 0.42 34.85 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.162 1.385 . . . . 0.0 114.244 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -61.61 -61.93 2.17 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.544 1.066 . . . . 0.0 112.528 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.63 -22.16 64.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.48 -6.71 45.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.496 1.518 . . . . 0.0 113.578 169.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t 60.35 44.03 12.78 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.706 2.002 . . . . 0.0 112.977 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -122.78 16.27 10.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.262 1.825 . . . . 0.0 113.092 -173.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -56.15 38.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.01 83.4 1.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.89 2.393 . . . . 0.0 112.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.26 74.81 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.194 1.798 . . . . 0.0 110.859 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 m120 51.11 64.08 1.98 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.859 1.663 . . . . 0.0 112.049 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.11 -36.4 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.151 0.981 . . . . 0.0 111.902 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.39 -36.47 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.182 0.993 . . . . 0.0 112.372 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.47 71.84 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.479 -0.763 . . . . 0.0 111.944 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.4 m -62.59 -18.39 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -60.89 -34.24 74.34 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.832 0.853 . . . . 0.0 112.882 171.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -71.44 -16.92 62.4 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.445 1.098 . . . . 0.0 113.457 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -76.82 68.83 3.09 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.332 1.053 . . . . 0.0 110.61 169.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -71.67 66.57 0.53 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.342 1.857 . . . . 0.0 111.897 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.18 -25.53 64.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.755 1.222 . . . . 0.0 113.395 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -101.68 153.9 19.36 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.261 1.824 . . . . 0.0 111.196 172.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.35 -26.25 62.74 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.36 101.9 12.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.188 1.395 . . . . 0.0 111.562 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -59.55 -22.42 61.67 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.369 -0.832 . . . . 0.0 113.011 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.11 -15.12 20.77 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.946 1.298 . . . . 0.0 114.077 171.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 tp -70.7 -24.71 62.7 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.551 1.14 . . . . 0.0 112.987 170.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.81 -34.86 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.998 1.319 . . . . 0.0 112.419 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.78 -63.51 2.52 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.716 1.206 . . . . 0.0 112.366 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.62 -32.4 48.07 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.516 2.144 . . . . 0.0 113.397 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.5 tp -55.32 -52.5 63.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 120.166 1.348 . . . . 0.0 111.411 172.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.57 -53.09 60.93 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.603 0.761 . . . . 0.0 111.841 174.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -58.19 -55.07 39.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.601 1.56 . . . . 0.0 113.148 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -60.52 -39.11 86.62 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.243 0.929 . . . . 0.0 112.589 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.36 -52.17 65.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.552 0.741 . . . . 0.0 111.268 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -56.31 -42.79 78.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.565 1.146 . . . . 0.0 113.741 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 20' ' ' GLU . 68.0 m -61.65 -46.23 90.66 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.394 -0.817 . . . . 0.0 112.461 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.5 mt -72.28 -27.12 62.27 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.4 -34.34 72.33 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.449 1.022 . . . . 0.0 112.739 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -41.73 66.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.917 1.287 . . . . 0.0 112.482 171.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -87.99 -20.55 25.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.637 1.175 . . . . 0.0 113.863 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.48 -28.19 66.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.487 1.115 . . . . 0.0 113.556 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.3 m 54.81 25.21 6.39 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.483 1.913 . . . . 0.0 115.193 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.3 mmt -93.2 -20.32 20.58 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 C--O 1.254 1.333 0 C-N-CA 124.705 1.202 . . . . 0.0 111.626 172.501 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -150.48 105.4 3.32 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.909 1.284 . . . . 0.0 111.091 174.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -151.02 170.58 19.02 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.517 1.527 . . . . 0.0 111.84 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -135.59 132.15 36.77 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.694 1.598 . . . . 0.0 110.541 175.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -69.46 159.93 32.36 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.335 0.654 . . . . 0.0 112.112 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 50.05 34.47 8.3 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.496 1.918 . . . . 0.0 114.058 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -101.85 12.68 36.62 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.588 1.555 . . . . 0.0 113.288 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -75.21 64.11 1.41 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.213 1.405 . . . . 0.0 112.018 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.4 p -76.26 44.63 0.34 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.906 2.082 . . . . 0.0 112.387 172.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.26 -169.51 39.12 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.056 1.789 . . . . 0.0 112.552 -167.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 41.69 3.38 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.131 1.772 . . . . 0.0 112.503 -172.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -141.5 89.44 9.32 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 125.844 1.658 . . . . 0.0 111.46 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.84 165.36 32.44 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.523 2.148 . . . . 0.0 111.408 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -133.42 -64.78 0.71 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.572 1.149 . . . . 0.0 111.824 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.77 156.73 40.84 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 123.706 0.669 . . . . 0.0 112.38 170.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 p -84.17 19.7 1.77 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.285 1.834 . . . . 0.0 114.458 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -55.73 -35.95 66.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.997 1.319 . . . . 0.0 114.281 -171.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -78.89 -18.68 53.48 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 176.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.35 -26.89 34.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.085 0.954 . . . . 0.0 111.692 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.37 -49.42 64.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.909 0.884 . . . . 0.0 111.548 167.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.21 -37.34 66.47 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -54.51 -57.09 12.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.875 0.87 . . . . 0.0 111.205 171.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -62.59 -37.97 88.31 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.534 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -57.84 10.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.77 1.168 . . . . 0.0 112.655 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.9 -50.06 75.27 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.24 -47.82 83.94 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.281 1.032 . . . . 0.0 112.967 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -62.4 -41.01 98.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.963 0.905 . . . . 0.0 112.663 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.98 -34.96 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.905 0.775 . . . . 0.0 112.863 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -66.64 -49.35 66.52 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.445 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.83 73.95 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.765 1.226 . . . . 0.0 113.553 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.73 50.92 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.986 1.715 . . . . 0.0 114.095 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 12.2 67.63 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.145 1.355 . . . . 0.0 114.453 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -125.64 58.1 20.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.218 1.407 . . . . 0.0 112.919 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -65.17 -19.36 62.78 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.845 2.363 . . . . 0.0 113.2 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.18 -37.25 64.28 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.066 1.346 . . . . 0.0 113.452 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.46 -55.91 20.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.786 0.721 . . . . 0.0 110.74 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.87 77.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.773 0.829 . . . . 0.0 113.1 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.75 -29.58 69.48 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.03 2.17 24.85 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.708 1.603 . . . . 0.0 114.392 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -59.7 -57.16 14.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.499 1.12 . . . . 0.0 112.829 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.11 -20.71 64.07 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -74.97 -6.7 50.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.861 1.264 . . . . 0.0 113.26 169.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m 60.2 24.86 14.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.763 2.025 . . . . 0.0 114.016 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -94.94 11.56 31.4 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.761 1.624 . . . . 0.0 113.745 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.26 -51.69 79.77 Favored Pre-proline 0 CA--C 1.552 1.045 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 171.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.57 80.05 2.39 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 123.213 2.608 . . . . 0.0 112.367 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.18 62.98 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.986 1.714 . . . . 0.0 112.054 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.89 71.37 0.52 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.892 1.677 . . . . 0.0 112.005 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.4 mt -52.79 -42.74 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.331 1.052 . . . . 0.0 111.297 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.1 t -59.57 -31.32 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.268 1.427 . . . . 0.0 113.017 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.26 -56.89 4.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.975 0.91 . . . . 0.0 111.728 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 m -65.08 -33.08 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -174.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -62.55 -38.65 90.84 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.775 0.716 . . . . 0.0 111.966 176.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -75.74 -10.48 59.47 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.564 1.546 . . . . 0.0 113.493 -176.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.61 -34.04 73.53 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.697 -1.252 . . . . 0.0 114.027 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -86.33 14.79 6.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.243 1.417 . . . . 0.0 114.303 -175.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.91 -28.0 54.71 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -81.48 -20.28 40.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.833 1.253 . . . . 0.0 114.2 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.7 tp -90.41 -75.44 0.46 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.791 1.236 . . . . 0.0 111.109 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -147.03 97.58 2.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.363 1.465 . . . . 0.0 110.845 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -58.61 -33.97 70.62 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.283 -0.886 . . . . 0.0 112.825 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -66.84 -22.62 65.99 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.322 1.049 . . . . 0.0 113.69 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.4 tp -75.59 -18.85 59.6 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.508 1.123 . . . . 0.0 112.32 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.9 t -73.61 -32.91 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.489 1.516 . . . . 0.0 112.528 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.76 -62.4 4.66 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.215 1.006 . . . . 0.0 113.142 174.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.87 -34.18 49.9 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.366 2.044 . . . . 0.0 112.882 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.5 tp -54.13 -53.57 51.5 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.388 0.994 . . . . 0.0 111.043 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.62 -47.25 73.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.317 1.047 . . . . 0.0 112.037 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.28 -59.04 6.04 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.156 0.982 . . . . 0.0 113.451 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.89 -42.16 97.55 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.498 1.119 . . . . 0.0 112.512 -172.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.61 -45.73 92.86 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.511 0.596 . . . . 0.0 111.73 172.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.47 -8.54 34.27 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.7 m -86.93 -57.75 2.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.553 1.141 . . . . 0.0 110.779 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.34 -35.6 78.0 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -59.92 -29.23 68.23 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.288 0.949 . . . . 0.0 112.952 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -65.91 -25.57 67.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.658 2.383 . . . . 0.0 113.16 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.4 m -96.76 -34.29 11.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.341 1.457 . . . . 0.0 112.036 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.09 67.83 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.3 p -69.78 -27.71 65.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.549 1.14 . . . . 0.0 113.655 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 22.8 mmt -91.34 168.57 11.48 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.989 1.715 . . . . 0.0 111.695 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.962 1.705 . . . . 0.0 111.726 -179.044 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -133.31 99.07 4.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.194 1.398 . . . . 0.0 111.073 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -145.6 123.77 12.19 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.674 1.19 . . . . 0.0 110.419 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -132.67 150.79 52.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.904 1.282 . . . . 0.0 111.556 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -142.7 165.91 26.09 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.931 1.692 . . . . 0.0 112.084 177.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -133.52 92.2 2.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.142 1.777 . . . . 0.0 110.085 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -127.72 79.87 1.92 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.015 1.326 . . . . 0.0 110.697 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.0 p -140.66 96.47 3.03 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.854 1.662 . . . . 0.0 111.613 -173.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -148.53 167.89 24.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.33 1.452 . . . . 0.0 111.708 177.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.13 169.05 13.61 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.78 1.657 . . . . 0.0 112.851 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.4 tp -145.48 99.96 3.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.494 1.117 . . . . 0.0 110.906 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 t 47.22 74.65 0.77 Allowed Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 127.388 2.275 . . . . 0.0 112.515 -175.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.44 165.97 31.16 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.139 2.559 . . . . 0.0 112.859 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -100.61 -60.85 1.45 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.639 1.576 . . . . 0.0 112.689 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.13 1.02 40.79 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.369 1.462 . . . . 0.0 115.289 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 t -74.66 71.43 1.91 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.178 1.391 . . . . 0.0 112.377 -177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -97.24 -59.92 1.69 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.588 1.555 . . . . 0.0 109.726 173.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.29 -30.8 60.5 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.482 0.713 . . . . 0.0 112.911 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp -68.03 -36.98 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.911 0.885 . . . . 0.0 111.327 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -52.99 -58.56 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.457 1.103 . . . . 0.0 111.673 169.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.13 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.004 0.922 . . . . 0.0 112.748 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -58.59 -54.08 51.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.566 1.546 . . . . 0.0 112.186 177.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.21 -31.74 71.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.33 -52.14 14.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.677 0.791 . . . . 0.0 112.965 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 -49.69 76.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.865 1.266 . . . . 0.0 112.02 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.29 -45.56 92.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.271 1.028 . . . . 0.0 112.305 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -63.61 -45.85 88.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.0 mt -56.51 -42.48 78.44 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.148 0.886 . . . . 0.0 112.164 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.5 -54.25 47.74 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.436 1.094 . . . . 0.0 112.016 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.1 70.49 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -12.86 61.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.205 1.402 . . . . 0.0 113.958 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.39 7.07 40.76 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.416 1.484 . . . . 0.0 115.118 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -128.18 62.7 59.47 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.188 1.494 . . . . 0.0 112.997 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.05 -19.21 63.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.238 2.625 . . . . 0.0 113.597 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.29 -39.59 67.07 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.274 1.03 . . . . 0.0 112.92 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -65.31 -51.08 63.03 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.923 0.489 . . . . 0.0 110.848 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 -45.16 72.06 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.232 1.013 . . . . 0.0 113.265 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -61.61 -25.5 67.39 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.42 -0.24 25.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.01 1.324 . . . . 0.0 114.448 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -61.27 -54.29 45.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.64 1.109 . . . . 0.0 112.937 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.73 -24.22 66.2 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -81.94 -2.79 52.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.914 1.286 . . . . 0.0 113.006 171.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t 52.62 49.82 19.54 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.393 2.677 . . . . 0.0 113.908 -176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -122.53 26.79 8.16 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.179 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.44 -54.62 36.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.681 1.192 . . . . 0.0 114.041 166.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -77.75 78.36 3.57 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.122 2.548 . . . . 0.0 112.165 -176.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 pt -127.65 76.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.96 1.704 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 m120 50.46 64.63 1.73 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.58 1.552 . . . . 0.0 112.412 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.4 mt -49.59 -48.44 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.588 1.555 . . . . 0.0 111.469 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.03 -34.09 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.714 1.206 . . . . 0.0 113.354 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.28 -51.89 15.94 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.389 0.995 . . . . 0.0 111.886 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.47 -34.53 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -177.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -73.94 -30.96 62.82 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -81.39 3.0 25.99 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.206 1.402 . . . . 0.0 113.62 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.3 -21.54 59.85 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.698 1.199 . . . . 0.0 113.703 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 46.96 48.06 15.49 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.415 2.286 . . . . 0.0 113.546 170.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -130.99 97.68 4.38 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.913 1.685 . . . . 0.0 110.065 -172.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 64.62 19.16 11.73 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.508 1.923 . . . . 0.0 115.094 -174.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mp -110.53 169.83 8.49 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.078 1.751 . . . . 0.0 112.222 172.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -128.95 158.69 38.1 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.682 1.993 . . . . 0.0 110.76 172.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -58.57 -28.38 65.48 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -73.85 -24.61 59.78 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.259 1.424 . . . . 0.0 113.519 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt -83.24 -29.28 28.59 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.119 1.368 . . . . 0.0 112.601 171.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.63 -36.38 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.822 1.249 . . . . 0.0 112.652 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.93 -65.07 1.36 Allowed Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.813 1.245 . . . . 0.0 113.415 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -65.43 -34.3 43.97 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.313 2.009 . . . . 0.0 112.95 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.08 -51.81 62.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.258 1.39 . . . . 0.0 111.348 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.4 t -58.41 -53.5 57.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.673 0.789 . . . . 0.0 112.115 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.98 -48.57 81.16 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.8 mmt-85 -64.19 -38.59 91.6 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.12 0.873 . . . . 0.0 112.277 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.35 -49.69 75.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.738 0.699 . . . . 0.0 111.544 170.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -59.17 -28.9 67.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.294 1.038 . . . . 0.0 113.751 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.5 m -62.94 -55.75 23.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.563 1.145 . . . . 0.0 112.217 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.11 -25.81 66.39 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.382 -0.824 . . . . 0.0 113.132 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -56.81 -27.64 60.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -51.62 -41.98 61.68 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.813 1.245 . . . . 0.0 111.985 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.3 t -90.7 -44.81 9.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.489 1.116 . . . . 0.0 112.398 175.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.23 -21.27 65.02 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -175.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.1 m -68.1 -9.41 46.1 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 43.8 ttm -128.27 93.74 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.803 2.041 . . . . 0.0 110.148 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? . . . . . 0 C--O 1.255 1.361 0 C-N-CA 126.246 1.819 . . . . 0.0 112.443 178.672 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.507 0.194 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -63.0 169.45 3.31 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.651 1.18 . . . . 0.0 112.552 172.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -57.63 122.28 12.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.971 0.908 . . . . 0.0 111.627 172.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -75.59 80.2 2.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.564 1.145 . . . . 0.0 111.22 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -57.91 118.11 5.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.319 1.448 . . . . 0.0 111.315 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -65.34 97.06 0.26 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.944 1.298 . . . . 0.0 112.046 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -76.18 98.92 4.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.104 1.361 . . . . 0.0 111.315 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.5 m -57.11 148.77 20.99 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.907 1.283 . . . . 0.0 112.78 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 t -61.51 128.99 38.98 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.846 0.858 . . . . 0.0 111.43 175.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.04 -17.01 3.21 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.183 1.373 . . . . 0.0 114.952 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt 51.37 47.51 24.7 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.377 1.871 . . . . 0.0 113.39 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 t 52.56 76.92 0.48 Allowed Pre-proline 0 N--CA 1.481 1.082 0 C-N-CA 127.108 2.163 . . . . 0.0 111.73 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -77.14 -16.76 15.52 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.144 2.563 . . . . 0.0 114.29 -173.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 -49.99 0.23 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.884 1.674 . . . . 0.0 112.043 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.47 -4.35 40.27 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.653 1.596 . . . . 0.0 115.383 176.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.4 m -85.2 19.36 2.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.994 1.718 . . . . 0.0 114.351 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -55.93 -30.74 62.12 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.75 -1.219 . . . . 0.0 114.036 -174.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -74.76 -13.83 60.64 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.014 1.325 . . . . 0.0 114.134 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -89.44 -36.83 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.6 1.56 . . . . 0.0 110.026 172.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.74 -32.02 63.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.22 0.918 . . . . 0.0 112.699 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.35 69.89 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.657 1.183 . . . . 0.0 113.092 171.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.45 -44.26 91.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.14 -38.49 86.59 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.481 1.112 . . . . 0.0 112.412 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.2 60.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.712 1.142 . . . . 0.0 112.2 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.0 t -56.5 -54.31 47.31 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.258 1.023 . . . . 0.0 112.008 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.78 -44.24 90.62 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -60.67 -43.46 97.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.493 0.717 . . . . 0.0 112.621 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -56.91 -38.54 72.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.124 0.875 . . . . 0.0 112.284 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -66.95 -52.02 47.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.512 0.725 . . . . 0.0 111.928 172.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.62 72.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.94 -5.82 33.8 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.385 1.874 . . . . 0.0 114.368 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 8.77 59.08 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.061 1.315 . . . . 0.0 115.059 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -125.41 60.98 33.6 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 118.872 1.336 . . . . 0.0 112.66 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -66.19 -18.25 55.8 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.259 2.64 . . . . 0.0 114.008 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -51.53 -43.31 62.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.19 1.396 . . . . 0.0 112.63 172.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -67.18 -47.17 71.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.068 0.547 . . . . 0.0 111.433 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.92 75.24 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.939 0.896 . . . . 0.0 112.594 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -60.02 -33.12 71.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.114 0.965 . . . . 0.0 113.524 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.57 -5.75 35.66 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.229 1.412 . . . . 0.0 114.365 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -59.57 -56.0 27.39 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.638 1.108 . . . . 0.0 112.495 173.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.33 -18.72 63.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.935 0.894 . . . . 0.0 113.365 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.44 -1.76 51.12 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.51 1.524 . . . . 0.0 113.543 169.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m 59.28 36.16 23.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.483 1.913 . . . . 0.0 113.556 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -112.63 15.88 19.88 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.62 1.968 . . . . 0.0 113.358 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -51.05 84.63 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 169.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.52 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.044 2.496 . . . . 0.0 112.52 -177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -130.06 61.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.002 1.721 . . . . 0.0 112.121 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 49.02 79.13 0.08 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.858 2.063 . . . . 0.0 113.582 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.0 mt -56.69 -33.35 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.854 1.262 . . . . 0.0 112.114 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.38 -33.2 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 120.91 -1.118 . . . . 0.0 112.241 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.12 -49.03 73.81 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.426 -0.796 . . . . 0.0 112.372 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.2 m -67.01 -24.59 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -63.75 -27.85 69.48 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 172.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -89.82 -2.42 58.22 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.278 1.431 . . . . 0.0 113.796 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.51 -40.69 96.1 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.767 1.227 . . . . 0.0 114.017 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.6 t60 39.4 49.77 1.92 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.981 2.512 . . . . 0.0 114.78 176.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -78.37 69.27 4.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.079 1.352 . . . . 0.0 112.325 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 63.53 3.77 1.57 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 127.893 2.477 . . . . 0.0 115.934 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.79 165.4 16.03 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.403 1.481 . . . . 0.0 112.994 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -71.44 149.73 45.62 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.257 1.423 . . . . 0.0 112.607 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -63.91 -30.52 71.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.066 0.947 . . . . 0.0 113.296 174.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.17 -22.44 66.87 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.142 0.977 . . . . 0.0 113.484 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp -71.31 -20.48 62.18 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.193 1.397 . . . . 0.0 113.301 175.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.22 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.561 1.144 . . . . 0.0 112.403 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.65 -61.86 7.04 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.454 1.102 . . . . 0.0 112.629 170.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -64.55 -29.94 61.24 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.076 1.851 . . . . 0.0 113.233 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.2 tp -55.02 -51.23 66.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.922 1.237 . . . . 0.0 111.305 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 37.6 t -59.07 -54.73 43.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.267 0.627 . . . . 0.0 111.915 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.43 -55.9 27.83 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.862 1.265 . . . . 0.0 113.203 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -59.54 -40.18 86.36 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.081 0.855 . . . . 0.0 112.835 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.69 -51.27 67.86 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.349 0.66 . . . . 0.0 111.169 171.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.15 -36.04 70.26 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.714 1.606 . . . . 0.0 114.147 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.0 m -55.23 -62.02 1.95 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.697 1.199 . . . . 0.0 111.371 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.61 -19.68 61.42 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -56.11 -38.95 71.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.59 1.156 . . . . 0.0 112.269 171.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -43.87 78.49 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.328 1.451 . . . . 0.0 112.223 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 83.7 m -72.05 -52.07 18.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.21 1.404 . . . . 0.0 111.868 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.03 -25.89 65.67 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.044 1.337 . . . . 0.0 114.397 -175.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 t -58.54 -34.19 70.73 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.081 1.353 . . . . 0.0 113.153 173.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.6 ttt -94.34 78.64 3.92 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.206 1.402 . . . . 0.0 110.894 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.529 1.932 . . . . 0.0 112.402 -177.63 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -78.54 -30.51 47.02 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -79.02 125.35 29.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.788 1.235 . . . . 0.0 111.237 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -102.8 115.96 31.63 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.866 1.266 . . . . 0.0 111.582 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -62.72 159.61 15.95 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.259 1.023 . . . . 0.0 112.717 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -153.1 159.62 42.81 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.271 1.428 . . . . 0.0 111.594 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -122.39 -40.23 2.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.956 1.302 . . . . 0.0 112.999 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -70.06 160.04 32.74 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.479 1.112 . . . . 0.0 112.023 171.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t 50.33 32.13 6.0 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.851 1.66 . . . . 0.0 114.107 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.07 169.83 52.58 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.98 1.276 . . . . 0.0 113.976 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.4 tp -141.69 99.27 3.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.711 1.604 . . . . 0.0 110.73 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 t 43.72 74.33 0.8 Allowed Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 127.577 2.351 . . . . 0.0 112.961 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.78 101.0 0.86 Allowed 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.829 3.019 . . . . 0.0 112.268 -176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -65.25 128.94 37.9 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.265 1.426 . . . . 0.0 111.732 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.75 115.37 0.84 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.193 1.378 . . . . 0.0 113.116 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -72.58 82.75 1.12 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.186 0.994 . . . . 0.0 111.284 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -128.26 -44.41 1.42 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.672 1.589 . . . . 0.0 112.123 175.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -79.85 -33.14 40.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.817 0.847 . . . . 0.0 111.769 170.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.46 -35.35 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.464 1.506 . . . . 0.0 110.771 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.81 -54.6 40.13 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.951 1.301 . . . . 0.0 111.829 175.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.17 91.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.278 1.031 . . . . 0.0 112.312 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -59.03 -52.25 66.56 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.164 . . . . 0.0 112.006 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -57.38 -47.86 80.55 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.546 1.539 . . . . 0.0 112.1 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.79 84.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.63 0.772 . . . . 0.0 113.014 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.69 -53.36 59.26 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.618 1.167 . . . . 0.0 111.993 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.77 -39.89 94.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.161 0.985 . . . . 0.0 112.998 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -60.63 -48.27 82.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.609 0.763 . . . . 0.0 111.475 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.55 -37.66 70.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.27 0.941 . . . . 0.0 112.749 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -60.99 -58.98 6.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.637 0.775 . . . . 0.0 112.018 169.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.46 68.59 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.28 -10.78 59.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.162 2.185 . . . . 0.0 114.717 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.77 56.18 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.532 1.063 . . . . 0.0 114.936 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -127.9 58.69 34.59 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.175 1.39 . . . . 0.0 112.911 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.8 -22.28 63.79 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.098 2.532 . . . . 0.0 113.757 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.21 -51.76 68.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.643 0.777 . . . . 0.0 111.207 174.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.82 -38.91 76.43 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.729 0.695 . . . . 0.0 112.505 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.7 89.11 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.094 0.861 . . . . 0.0 112.791 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.6 -28.73 67.43 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.03 -7.33 21.87 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.53 -54.93 36.63 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.313 1.415 . . . . 0.0 111.326 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.84 -23.24 65.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.51 -5.86 58.39 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.794 1.238 . . . . 0.0 113.255 172.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t 56.82 52.97 8.72 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.427 2.291 . . . . 0.0 113.377 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -132.66 22.26 4.28 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.651 1.581 . . . . 0.0 113.748 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.96 -54.03 58.31 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.99 77.7 3.84 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 123.36 2.707 . . . . 0.0 112.389 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 pt -128.14 65.32 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.164 1.786 . . . . 0.0 111.863 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m120 52.71 70.27 0.59 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.309 1.844 . . . . 0.0 112.146 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.06 -39.27 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.09 0.956 . . . . 0.0 111.342 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.98 -33.76 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.266 1.426 . . . . 0.0 112.57 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.46 -54.57 13.64 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.207 -0.933 . . . . 0.0 111.653 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.06 -33.32 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -73.53 -12.8 60.9 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 174.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -99.77 1.22 42.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.045 1.338 . . . . 0.0 112.923 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -74.57 64.46 1.2 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 112.305 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -75.39 45.17 0.29 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.118 2.167 . . . . 0.0 113.779 -176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -73.84 67.14 1.19 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.75 2.02 . . . . 0.0 112.792 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 49.07 47.35 22.0 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.67 2.388 . . . . 0.0 113.892 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 pp -133.47 175.59 9.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.402 1.881 . . . . 0.0 113.533 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.37 86.02 0.42 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.301 1.84 . . . . 0.0 113.621 -173.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -55.38 -32.66 62.79 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.271 1.429 . . . . 0.0 113.314 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.84 -28.75 67.76 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.636 1.174 . . . . 0.0 113.515 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -16.11 59.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.056 1.342 . . . . 0.0 112.914 175.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.7 t -90.73 -21.72 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.995 1.318 . . . . 0.0 112.673 -170.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.23 -62.24 5.61 Favored Pre-proline 0 CA--C 1.549 0.912 0 O-C-N 120.926 -1.109 . . . . 0.0 112.628 166.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.53 -26.61 54.39 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 122.278 1.986 . . . . 0.0 112.978 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.94 -48.82 75.05 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.282 0.947 . . . . 0.0 111.844 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.05 -47.66 80.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.09 0.556 . . . . 0.0 111.865 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.96 -52.76 63.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.653 0.781 . . . . 0.0 111.87 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -65.01 -35.53 81.48 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.94 -33.73 76.72 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.173 0.897 . . . . 0.0 112.918 171.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -69.78 -30.32 67.85 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.87 . . . . 0.0 113.021 171.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -59.91 -54.3 47.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.296 1.039 . . . . 0.0 113.305 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.24 -24.95 64.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.182 0.993 . . . . 0.0 112.593 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.45 -29.61 64.35 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.76 1.224 . . . . 0.0 112.917 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.38 -52.89 19.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.209 1.804 . . . . 0.0 111.731 169.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 49.8 t -74.91 -53.36 9.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.064 1.345 . . . . 0.0 111.433 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.89 -22.68 64.55 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -172.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t -60.35 -35.83 76.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.258 1.423 . . . . 0.0 112.992 171.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.2 ttt -97.84 94.05 6.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.046 1.339 . . . . 0.0 111.352 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.0 pttt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.962 1.705 . . . . 0.0 113.941 175.149 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 110.721 -0.103 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 54.89 29.25 11.74 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.638 1.975 . . . . 0.0 115.204 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -79.49 157.23 27.51 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.426 -1.421 . . . . 0.0 112.333 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 52.75 17.51 0.85 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 127.136 2.174 . . . . 0.0 115.879 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -78.68 80.01 5.07 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.487 -1.383 . . . . 0.0 112.136 -176.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -149.66 157.27 43.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.781 1.633 . . . . 0.0 111.544 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -137.17 81.15 1.85 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.368 1.467 . . . . 0.0 111.335 -176.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 t -89.89 103.97 16.58 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.924 1.289 . . . . 0.0 111.13 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 t -138.88 118.42 12.95 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.111 1.365 . . . . 0.0 111.378 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.92 153.24 12.81 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 126.154 1.835 . . . . 0.0 114.056 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 tp -152.15 53.26 0.8 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.255 1.422 . . . . 0.0 111.464 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -148.23 85.74 6.25 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 124.473 1.109 . . . . 0.0 111.885 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.54 142.15 39.76 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.575 2.184 . . . . 0.0 110.959 171.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -148.27 142.05 25.68 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.871 1.269 . . . . 0.0 111.131 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.71 -27.7 73.66 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.694 0.664 . . . . 0.0 113.963 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.63 20.43 0.58 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.431 1.893 . . . . 0.0 114.425 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -52.57 -38.94 60.92 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.576 1.551 . . . . 0.0 113.826 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.41 -34.04 77.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.124 0.97 . . . . 0.0 113.044 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.19 -44.2 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 124.438 1.095 . . . . 0.0 109.311 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -55.84 -40.28 72.62 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.273 0.629 . . . . 0.0 112.154 171.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.78 91.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -61.82 -54.85 36.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.825 0.85 . . . . 0.0 111.862 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.22 -26.49 68.15 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.41 -58.29 8.17 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.339 0.972 . . . . 0.0 112.469 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m -59.98 -41.53 92.21 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.89 -47.17 84.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.626 0.77 . . . . 0.0 112.877 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.93 -42.0 97.28 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.609 0.764 . . . . 0.0 112.672 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.71 -35.42 66.08 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.856 0.753 . . . . 0.0 112.764 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -66.69 -52.18 47.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.649 0.78 . . . . 0.0 111.666 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.57 72.08 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.656 1.183 . . . . 0.0 113.457 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.97 -9.67 55.93 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.787 1.635 . . . . 0.0 114.666 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.65 7.23 56.89 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.037 1.303 . . . . 0.0 115.104 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -128.61 63.08 63.61 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 118.922 1.361 . . . . 0.0 112.567 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.39 -20.0 69.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.887 2.391 . . . . 0.0 113.172 177.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -58.31 -35.82 72.42 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.01 -45.95 89.97 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.13 1.332 . . . . 0.0 111.664 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.34 -32.5 66.79 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -63.31 -30.42 71.56 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.11 -11.14 60.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.828 1.195 . . . . 0.0 112.998 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -63.23 -49.82 72.64 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.58 1.082 . . . . 0.0 111.566 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.37 -27.41 65.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.869 0.868 . . . . 0.0 112.623 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.17 -5.84 52.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.503 1.521 . . . . 0.0 113.717 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m 59.66 38.65 21.85 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.812 2.045 . . . . 0.0 114.215 -176.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -125.16 31.78 5.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.915 1.686 . . . . 0.0 113.24 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.97 -45.35 86.83 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 163.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -79.05 76.61 4.46 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.023 2.482 . . . . 0.0 112.212 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.8 58.65 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.71 1.604 . . . . 0.0 112.266 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.7 m120 54.23 76.6 0.23 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.311 1.845 . . . . 0.0 112.207 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.58 -43.39 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.452 0.701 . . . . 0.0 111.079 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.5 t -59.41 -29.7 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.686 1.194 . . . . 0.0 113.201 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.93 -57.64 3.91 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.865 0.757 . . . . 0.0 111.602 171.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.5 m -68.82 -33.98 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -172.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -64.81 -26.11 68.2 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.212 1.005 . . . . 0.0 112.993 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -83.37 5.92 21.78 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.905 1.682 . . . . 0.0 113.495 -175.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -71.42 69.84 0.6 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.881 1.672 . . . . 0.0 112.286 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -63.37 -17.4 62.58 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.498 1.919 . . . . 0.0 113.888 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -55.86 104.48 0.14 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.601 1.56 . . . . 0.0 111.883 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 62.13 28.85 17.36 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.782 2.033 . . . . 0.0 115.198 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -135.23 125.02 25.41 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.149 1.38 . . . . 0.0 113.096 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.58 135.42 57.64 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.981 1.312 . . . . 0.0 112.108 171.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.24 -31.38 69.02 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.44 -0.787 . . . . 0.0 112.733 176.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -68.07 -21.89 64.96 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.5 mt -80.77 -16.28 54.23 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.125 0.97 . . . . 0.0 113.459 172.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.75 -33.43 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.535 1.134 . . . . 0.0 111.781 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.27 -68.25 0.73 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.014 1.326 . . . . 0.0 112.902 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -62.02 -31.89 84.01 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 121.621 1.615 . . . . 0.0 112.543 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.1 tp -54.58 -59.41 4.74 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.175 0.99 . . . . 0.0 111.777 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 p -63.48 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.98 -52.47 65.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.826 1.193 . . . . 0.0 112.317 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -65.71 -34.31 77.9 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.41 -43.65 85.17 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.89 0.768 . . . . 0.0 112.222 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -62.13 -44.19 97.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.149 1.38 . . . . 0.0 114.064 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t -62.2 -35.59 79.32 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.76 1.164 . . . . 0.0 113.014 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.62 -26.35 57.7 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.01 -37.1 78.71 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.701 1.137 . . . . 0.0 112.545 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -55.88 -53.68 53.82 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.295 1.038 . . . . 0.0 111.384 171.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.4 m -60.04 -48.41 81.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.658 1.183 . . . . 0.0 112.369 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.01 -23.13 63.08 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.0 t -66.01 -44.85 83.55 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.368 1.067 . . . . 0.0 112.221 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 40.0 mtp -80.73 165.6 21.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.011 0.924 . . . . 0.0 112.118 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.014 1.326 . . . . 0.0 111.811 177.378 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.01 -32.88 64.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.413 -0.804 . . . . 0.0 112.455 169.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.62 83.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.526 1.13 . . . . 0.0 113.814 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -63.5 -51.5 65.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.663 1.185 . . . . 0.0 111.02 174.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.3 -32.26 72.97 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.341 1.056 . . . . 0.0 113.048 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -58.56 8.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.545 1.138 . . . . 0.0 112.773 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.84 -52.33 64.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.414 0.686 . . . . 0.0 111.781 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -39.79 95.26 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -62.16 -44.05 97.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.492 0.717 . . . . 0.0 112.168 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -45.75 73.89 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.41 1.005 . . . . 0.0 111.581 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -62.5 -52.53 63.1 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.543 0.737 . . . . 0.0 111.893 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.32 -44.87 80.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.857 1.263 . . . . 0.0 113.237 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.66 -7.35 14.82 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.98 1.712 . . . . 0.0 114.678 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.45 10.93 43.09 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.103 1.335 . . . . 0.0 114.948 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -126.51 58.87 29.27 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 112.53 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.32 -20.54 48.7 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.122 2.548 . . . . 0.0 113.92 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -53.89 -48.55 69.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.351 1.06 . . . . 0.0 111.492 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -59.02 -49.89 76.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.678 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.58 -50.49 67.87 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 113.248 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -59.93 -31.4 69.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.031 0.932 . . . . 0.0 112.961 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -69.51 -4.4 18.72 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.64 -61.46 2.57 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.149 1.341 . . . . 0.0 112.452 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -70.9 -16.78 62.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.38 -0.07 35.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.777 1.231 . . . . 0.0 113.49 167.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.5 m 60.86 37.16 18.7 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.703 2.001 . . . . 0.0 113.79 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -121.38 15.54 11.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.25 1.82 . . . . 0.0 113.476 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -58.88 -53.47 66.08 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 169.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.61 80.79 2.69 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.089 2.526 . . . . 0.0 112.077 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.0 pt -126.62 57.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.022 1.729 . . . . 0.0 111.311 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 53.64 69.45 0.71 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.846 2.058 . . . . 0.0 112.968 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.94 -51.27 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.845 1.658 . . . . 0.0 111.467 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.474 0.775 0 C-N-CA 124.545 1.138 . . . . 0.0 113.543 178.751 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.55 0.948 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.87 -28.58 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.803 1.241 . . . . 0.0 112.419 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.45 -59.13 14.84 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.835 -1.079 . . . . 0.0 113.59 173.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.58 -33.19 46.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.783 1.655 . . . . 0.0 112.73 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.87 -32.19 69.26 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.458 1.026 . . . . 0.0 112.385 170.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.4 -53.91 7.09 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.166 -0.958 . . . . 0.0 112.057 170.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -60.84 -46.96 88.53 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.322 1.449 . . . . 0.0 114.043 -174.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -67.11 -32.32 73.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.657 0.783 . . . . 0.0 112.626 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 45' ' ' PHE . 3.2 mm? -66.21 -50.73 62.82 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.561 0.744 . . . . 0.0 110.95 168.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -57.78 -44.88 86.54 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 t -61.27 -35.81 78.31 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.353 0.979 . . . . 0.0 113.085 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' CE2' ' A' ' 45' ' ' PHE . 61.0 mt -81.95 -25.12 35.12 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -55.28 -43.27 74.58 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.947 1.299 . . . . 0.0 112.169 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -52.79 -47.07 67.84 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.144 1.777 . . . . 0.0 112.593 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.2 m -75.62 -35.6 60.46 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.067 1.347 . . . . 0.0 113.038 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.031 1.332 . . . . 0.0 113.02 179.07 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -54.6 -47.58 73.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.3 1.44 . . . . 0.0 112.524 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.17 81.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.999 1.32 . . . . 0.0 113.065 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.23 78.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.397 1.079 . . . . 0.0 111.064 177.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -61.44 -37.86 85.08 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.48 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.488 1.04 . . . . 0.0 112.299 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.2 t -60.33 -52.72 64.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.061 0.944 . . . . 0.0 112.289 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.94 -40.66 87.61 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.126 0.971 . . . . 0.0 113.166 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -61.51 -42.77 99.3 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.429 -0.794 . . . . 0.0 112.155 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.17 -29.31 63.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.796 0.838 . . . . 0.0 113.146 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -64.56 -59.0 4.8 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.875 0.87 . . . . 0.0 110.919 171.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.22 -29.73 70.0 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.231 1.412 . . . . 0.0 113.614 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.87 63.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.055 1.742 . . . . 0.0 114.617 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.96 11.86 64.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.468 1.032 . . . . 0.0 114.542 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -128.37 61.71 55.26 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 118.738 1.269 . . . . 0.0 112.281 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.68 -16.67 42.41 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.421 2.747 . . . . 0.0 113.923 -176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.016 1.326 . . . . 0.0 111.858 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -55.36 -48.94 73.49 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.875 -0.516 . . . . 0.0 111.583 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.57 96.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.005 0.922 . . . . 0.0 113.359 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -58.06 -32.07 67.67 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.384 -0.822 . . . . 0.0 113.164 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 mp -75.34 -1.82 25.51 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.654 1.582 . . . . 0.0 114.368 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.57 -58.96 6.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.888 1.222 . . . . 0.0 112.958 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.95 -22.25 66.97 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.23 -3.67 50.09 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.858 1.263 . . . . 0.0 113.315 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t 58.35 31.22 20.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.316 2.246 . . . . 0.0 113.699 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.7 16.23 22.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.219 1.807 . . . . 0.0 113.277 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.67 -56.7 33.11 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 120.762 -1.211 . . . . 0.0 113.716 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.72 84.02 1.49 Allowed 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.076 2.517 . . . . 0.0 112.662 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 pt -130.61 66.9 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.517 1.527 . . . . 0.0 112.024 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 49.53 60.62 3.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.285 1.434 . . . . 0.0 112.193 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.02 -36.73 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.839 1.256 . . . . 0.0 111.199 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 112.75 177.699 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.84 -33.19 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.747 1.219 . . . . 0.0 112.398 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -55.57 -63.12 3.44 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.767 1.227 . . . . 0.0 112.413 171.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.29 -28.04 40.23 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.693 2.262 . . . . 0.0 113.634 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.6 tp -53.52 -58.44 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.163 1.347 . . . . 0.0 110.786 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.91 -47.26 85.61 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.996 0.518 . . . . 0.0 112.043 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -56.4 -59.05 5.53 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -61.02 -39.31 89.28 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.129 0.877 . . . . 0.0 112.89 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -58.46 -54.86 42.27 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -56.03 -40.51 73.55 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.495 1.118 . . . . 0.0 113.893 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.3 m -54.26 -54.79 35.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.776 1.231 . . . . 0.0 112.198 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.15 -25.67 61.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.92 -31.42 68.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -52.05 -42.83 63.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.935 1.294 . . . . 0.0 112.395 173.197 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -84.23 -37.95 21.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.177 0.991 . . . . 0.0 112.789 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -176.498 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 119.37 -0.348 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.37 -45.2 84.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 171.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.12 87.73 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.967 0.907 . . . . 0.0 112.109 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.57 -51.7 68.8 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.472 1.109 . . . . 0.0 112.004 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.78 -47.97 78.94 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.24 -48.48 80.27 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.728 0.695 . . . . 0.0 112.167 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -58.27 -53.0 63.22 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.406 1.082 . . . . 0.0 111.99 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.76 -45.07 95.47 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.737 1.215 . . . . 0.0 113.118 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -62.24 -45.11 94.77 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.107 0.963 . . . . 0.0 112.294 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.61 -42.11 78.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.886 0.766 . . . . 0.0 111.81 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -62.99 -53.36 55.2 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.066 0.946 . . . . 0.0 112.391 169.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.51 68.95 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.7 -7.41 44.44 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.387 1.875 . . . . 0.0 114.36 174.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.91 58.15 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.295 1.426 . . . . 0.0 114.708 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -126.98 60.97 44.6 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 118.859 1.33 . . . . 0.0 112.821 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.77 -14.93 47.03 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.397 2.731 . . . . 0.0 113.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -51.07 -41.29 59.83 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.394 1.078 . . . . 0.0 112.755 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -68.35 -51.65 42.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.393 0.677 . . . . 0.0 111.025 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.97 63.86 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.658 1.183 . . . . 0.0 113.123 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -65.08 -20.93 66.72 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -84.13 -0.55 52.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.075 1.35 . . . . 0.0 114.179 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.63 -52.34 65.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.255 0.934 . . . . 0.0 112.182 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.52 -18.5 64.39 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.93 -2.61 58.71 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.011 1.324 . . . . 0.0 113.117 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.5 m 62.17 21.91 12.77 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 127.801 2.44 . . . . 0.0 115.208 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -90.21 13.73 14.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.47 -53.28 67.73 Favored Pre-proline 0 CA--C 1.552 1.043 0 O-C-N 120.479 -1.388 . . . . 0.0 114.594 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -76.35 80.02 2.83 Favored 'Trans proline' 0 CA--C 1.547 1.158 0 C-N-CA 123.615 2.877 . . . . 0.0 112.384 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 pt -129.99 55.61 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.858 1.663 . . . . 0.0 112.267 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 54.7 76.95 0.22 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.121 1.768 . . . . 0.0 112.068 -172.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -54.19 -39.09 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.927 0.891 . . . . 0.0 111.134 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.464 1.106 . . . . 0.0 112.193 174.773 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.1 mt . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.1 -40.33 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.307 1.043 . . . . 0.0 112.145 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -56.64 -64.39 2.51 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 124.614 1.166 . . . . 0.0 113.269 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.32 -32.54 41.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.264 1.976 . . . . 0.0 113.175 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.3 tp -53.53 -56.45 16.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.939 1.245 . . . . 0.0 110.757 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -54.65 -51.18 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.775 0.83 . . . . 0.0 111.841 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -58.54 -49.76 76.25 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.217 1.007 . . . . 0.0 113.36 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -65.92 -42.85 89.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.729 0.812 . . . . 0.0 112.465 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.69 -51.98 66.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.767 0.712 . . . . 0.0 111.454 171.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -65.34 -8.98 20.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.143 1.777 . . . . 0.0 114.347 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.3 m -87.86 -59.22 2.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.588 1.155 . . . . 0.0 110.547 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.77 -31.66 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -59.91 -30.91 69.35 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.337 0.972 . . . . 0.0 112.794 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.78 -44.09 81.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.509 1.923 . . . . 0.0 111.77 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.42 -46.76 46.65 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.623 1.169 . . . . 0.0 111.735 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.273 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.5 mt . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.48 -43.62 65.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.635 1.107 . . . . 0.0 112.362 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.44 -43.85 65.92 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.04 -49.13 77.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.782 0.833 . . . . 0.0 111.813 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -56.26 -52.17 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.613 1.565 . . . . 0.0 111.629 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.32 68.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -70.55 -52.09 24.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 112.703 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.09 -40.89 97.4 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.662 1.185 . . . . 0.0 113.056 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -58.03 -43.53 86.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.135 1.374 . . . . 0.0 112.191 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.89 -44.61 86.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.653 0.781 . . . . 0.0 112.411 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -61.62 -50.17 73.65 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.348 1.059 . . . . 0.0 111.887 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.68 72.03 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.58 62.81 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.103 1.761 . . . . 0.0 114.392 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.0 2.72 28.32 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.998 1.285 . . . . 0.0 115.47 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -123.78 63.72 29.72 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 119.097 1.449 . . . . 0.0 112.273 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.12 -16.55 52.51 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.54 2.826 . . . . 0.0 113.733 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -50.74 -42.82 57.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.867 1.267 . . . . 0.0 112.53 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.99 -45.36 61.27 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.477 0.58 . . . . 0.0 111.616 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.02 70.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.993 0.917 . . . . 0.0 112.435 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -61.89 -19.05 62.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -84.75 -1.46 56.31 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.537 1.135 . . . . 0.0 113.852 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.27 -60.38 3.83 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.447 1.022 . . . . 0.0 112.379 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.82 -25.46 66.45 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.713 0.805 . . . . 0.0 112.908 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.03 -6.42 49.31 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.642 1.577 . . . . 0.0 113.755 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 t 61.9 40.2 12.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -125.74 25.87 6.8 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.786 1.634 . . . . 0.0 112.934 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -52.4 73.42 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.518 1.127 . . . . 0.0 113.975 167.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.57 84.41 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.882 2.388 . . . . 0.0 111.928 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 pt -132.51 79.79 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.617 1.567 . . . . 0.0 111.165 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m120 51.2 64.12 1.97 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.474 1.51 . . . . 0.0 112.304 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.83 -27.78 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.087 -1.008 . . . . 0.0 111.917 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.48 1.042 0 O-C-N 120.684 -1.26 . . . . 0.0 112.433 173.163 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.58 -29.03 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.153 0.981 . . . . 0.0 112.31 -176.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 -64.24 1.79 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.454 1.102 . . . . 0.0 112.498 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -65.36 -31.06 53.08 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 122.753 2.302 . . . . 0.0 113.516 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.3 -24.8 66.68 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.656 1.116 . . . . 0.0 113.281 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -87.38 -53.62 4.73 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.009 -1.057 . . . . 0.0 111.428 166.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -59.81 -57.15 14.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.288 1.835 . . . . 0.0 113.286 -171.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -61.25 -37.18 82.17 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.155 1.382 . . . . 0.0 112.976 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.65 -51.36 68.8 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.956 1.302 . . . . 0.0 110.04 173.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -64.47 -27.95 69.33 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -58.77 -55.16 38.71 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.006 -1.059 . . . . 0.0 111.229 170.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.16 -29.89 68.88 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -52.84 -36.88 59.43 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.321 0.964 . . . . 0.0 113.153 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -57.21 -41.23 79.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.0 1.32 . . . . 0.0 112.276 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.11 -23.51 21.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.356 1.462 . . . . 0.0 113.609 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 124.752 1.221 . . . . 0.0 113.886 177.154 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 119.868 -0.111 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.51 -52.29 65.29 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.434 0.693 . . . . 0.0 111.125 171.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.35 86.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.163 0.985 . . . . 0.0 112.679 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -55.24 36.47 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.934 1.293 . . . . 0.0 111.805 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.88 -43.4 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.174 0.989 . . . . 0.0 111.975 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.31 43.03 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -68.71 -24.02 64.43 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.48 -39.07 39.39 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.134 1.373 . . . . 0.0 112.374 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -65.83 -46.76 77.36 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.231 -0.918 . . . . 0.0 112.433 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.23 -45.44 79.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.999 0.919 . . . . 0.0 112.946 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -66.8 -39.72 87.83 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 174.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.92 77.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.301 1.04 . . . . 0.0 112.927 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.36 86.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.117 1.767 . . . . 0.0 111.954 175.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 135.42 8.59 1.73 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.747 1.165 . . . . 0.0 115.018 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -124.89 64.27 42.42 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.952 1.301 . . . . 0.0 111.671 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.89 -21.14 64.46 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.294 2.663 . . . . 0.0 113.184 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -51.95 -44.2 63.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.772 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -62.88 -49.62 74.12 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.666 0.666 . . . . 0.0 111.366 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.06 -44.54 74.85 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.698 0.799 . . . . 0.0 112.886 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -62.11 -28.61 69.75 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.77 -3.56 26.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.516 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.15 -49.36 72.42 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.151 1.341 . . . . 0.0 112.936 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.54 -28.57 68.65 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.599 -0.688 . . . . 0.0 112.768 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.85 -6.64 56.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.524 1.53 . . . . 0.0 113.564 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t 52.09 55.97 8.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.178 2.191 . . . . 0.0 113.353 -172.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -121.67 15.47 11.06 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.726 1.611 . . . . 0.0 113.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.95 -52.81 70.94 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.52 78.01 3.44 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.124 2.55 . . . . 0.0 112.149 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 pt -126.09 73.69 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.024 1.73 . . . . 0.0 111.593 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 51.24 65.64 1.42 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.819 1.648 . . . . 0.0 112.572 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.2 mt -50.61 -46.74 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.609 1.164 . . . . 0.0 111.75 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 124.482 1.113 . . . . 0.0 113.563 177.103 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.06 -19.09 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 125.054 1.341 . . . . 0.0 112.509 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -61.67 -60.38 10.53 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.718 -1.239 . . . . 0.0 113.55 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.73 -26.4 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.151 1.901 . . . . 0.0 113.299 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.68 -45.12 81.91 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.626 1.17 . . . . 0.0 112.841 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.5 p -63.57 -33.0 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.829 1.195 . . . . 0.0 113.271 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -61.67 -55.28 32.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.613 0.765 . . . . 0.0 110.582 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -58.15 -37.74 75.23 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.896 0.878 . . . . 0.0 113.248 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.68 -51.42 69.85 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.387 0.675 . . . . 0.0 111.65 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.87 -25.42 68.28 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -59.78 -55.58 32.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.136 -0.978 . . . . 0.0 112.077 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.42 -23.8 63.75 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -54.64 -31.05 56.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.305 0.957 . . . . 0.0 113.007 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -50.76 -52.82 37.08 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.701 1.2 . . . . 0.0 111.817 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.36 -36.04 22.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.384 1.074 . . . . 0.0 112.932 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.6 -30.18 29.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.401 1.08 . . . . 0.0 113.105 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.95 85.93 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.497 1.044 . . . . 0.0 113.382 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -66.69 -50.69 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.14 0.976 . . . . 0.0 110.594 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -58.65 -40.58 83.87 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.963 0.905 . . . . 0.0 112.538 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.37 47.93 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.546 1.138 . . . . 0.0 112.487 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.64 -50.46 68.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.084 0.953 . . . . 0.0 111.683 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.0 -33.94 72.67 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -70.55 -44.31 67.71 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.026 -1.046 . . . . 0.0 112.407 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.67 -46.24 81.24 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.194 0.906 . . . . 0.0 112.194 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -44.56 94.35 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.115 0.966 . . . . 0.0 113.274 171.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.32 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.78 -9.45 57.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.5 6.53 41.18 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.264 1.411 . . . . 0.0 115.099 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -124.88 66.15 48.44 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.042 1.421 . . . . 0.0 112.357 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.15 -22.02 47.73 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.358 2.705 . . . . 0.0 113.436 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -56.04 -45.24 79.25 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.492 1.117 . . . . 0.0 111.812 175.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -57.83 -52.8 63.96 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.457 0.571 . . . . 0.0 111.322 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.9 70.18 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.008 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -60.48 -35.34 75.67 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.56 -0.39 8.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.71 -53.35 58.47 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.618 1.099 . . . . 0.0 112.377 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.16 -21.72 63.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.517 0.727 . . . . 0.0 112.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -78.2 -5.68 52.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 113.435 169.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 m 61.68 29.43 18.12 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.003 2.121 . . . . 0.0 114.75 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -103.76 21.67 15.83 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.756 1.222 . . . . 0.0 113.856 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -54.04 33.3 Favored Pre-proline 0 CA--C 1.551 1.006 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 169.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -76.11 78.84 3.08 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.184 2.589 . . . . 0.0 112.196 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -131.68 48.16 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.021 1.728 . . . . 0.0 112.444 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 58.0 84.81 0.1 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.382 1.873 . . . . 0.0 112.559 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.29 -34.79 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.038 0.935 . . . . 0.0 111.694 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.479 0.985 0 C-N-CA 124.808 1.243 . . . . 0.0 112.342 177.151 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.65 -35.54 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 112.061 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.08 -62.55 2.7 Favored Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.0 -40.2 28.55 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.595 2.197 . . . . 0.0 112.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 tt -54.86 -48.98 72.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.278 1.031 . . . . 0.0 111.783 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.65 3.56 2.4 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.871 1.668 . . . . 0.0 114.335 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -47.92 3.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.34 1.456 . . . . 0.0 111.287 168.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -60.39 -39.42 87.25 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.292 1.037 . . . . 0.0 112.707 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.79 -46.41 68.78 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.774 -0.579 . . . . 0.0 112.108 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -70.95 -2.31 14.8 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -103.31 -40.8 6.25 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.802 -1.187 . . . . 0.0 112.606 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.45 -37.59 65.76 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.135 -0.978 . . . . 0.0 113.112 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -58.23 -36.46 73.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.409 1.004 . . . . 0.0 113.278 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -62.39 -43.91 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.889 2.076 . . . . 0.0 111.471 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.1 t -69.71 -38.72 77.02 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.525 1.13 . . . . 0.0 112.749 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -178.773 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 119.331 -0.366 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.03 -41.5 71.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.65 0.659 . . . . 0.0 112.126 174.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.75 46.24 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.986 0.914 . . . . 0.0 113.438 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.27 -45.69 87.42 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.738 1.215 . . . . 0.0 111.75 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -54.06 -45.78 71.77 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.727 1.211 . . . . 0.0 112.006 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.11 67.06 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.148 0.885 . . . . 0.0 112.961 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -62.09 -43.23 99.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.64 -43.3 94.13 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.681 0.793 . . . . 0.0 112.282 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.68 -41.47 99.12 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.26 1.424 . . . . 0.0 112.551 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.76 -41.35 77.44 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.553 1.141 . . . . 0.0 113.116 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -61.0 -52.81 63.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.751 1.22 . . . . 0.0 111.375 172.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.94 75.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.242 1.017 . . . . 0.0 113.672 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.52 -8.23 49.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.13 1.772 . . . . 0.0 114.1 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.29 15.6 62.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.584 1.088 . . . . 0.0 114.713 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -126.74 61.28 44.47 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.05 1.34 . . . . 0.0 112.342 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.93 -19.63 39.89 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.245 2.63 . . . . 0.0 113.369 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -57.31 -46.27 83.36 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.095 0.958 . . . . 0.0 111.637 175.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -58.45 -41.48 85.23 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.748 0.704 . . . . 0.0 112.135 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.84 -36.24 74.23 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.552 1.069 . . . . 0.0 112.999 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -67.02 -29.24 69.0 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.72 -18.5 65.37 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.327 0.967 . . . . 0.0 113.37 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.25 -44.89 93.89 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.689 1.131 . . . . 0.0 112.402 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.63 -14.43 62.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.679 1.192 . . . . 0.0 113.417 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.37 7.07 31.01 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.131 1.772 . . . . 0.0 112.609 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . 0.256 84.3 p 49.89 23.56 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.961 2.904 . . . . 0.0 115.883 -172.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -83.6 6.41 20.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.472 1.909 . . . . 0.0 114.276 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -52.52 60.95 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.75 81.57 2.64 Favored 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 123.179 2.586 . . . . 0.0 112.441 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 pt -128.24 65.05 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.963 1.705 . . . . 0.0 112.037 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 51.16 71.78 0.41 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.969 1.708 . . . . 0.0 112.476 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.3 mt -52.41 -42.61 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.296 1.038 . . . . 0.0 111.648 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 124.474 1.11 . . . . 0.0 111.789 176.881 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.18 -14.5 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 124.425 1.09 . . . . 0.0 112.279 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.46 -64.69 2.11 Favored Pre-proline 0 CA--C 1.55 0.947 0 O-C-N 120.671 -1.268 . . . . 0.0 112.749 162.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.66 -17.61 57.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.975 2.45 . . . . 0.0 114.224 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.3 tp -51.68 -42.88 62.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.292 1.037 . . . . 0.0 111.72 167.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.77 -41.61 74.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.216 1.006 . . . . 0.0 112.473 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.1 mmt-85 -63.26 -52.14 63.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.381 1.472 . . . . 0.0 111.383 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -62.56 -42.56 99.62 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.907 0.883 . . . . 0.0 112.842 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.76 -48.48 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.151 0.58 . . . . 0.0 112.012 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.56 -31.65 72.88 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.6 m -58.73 -50.63 73.21 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.078 0.951 . . . . 0.0 111.289 175.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.14 -24.78 61.51 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -56.91 -35.69 69.31 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.721 1.146 . . . . 0.0 112.573 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -53.7 -49.65 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.372 1.069 . . . . 0.0 111.577 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.73 -40.22 66.27 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.036 1.334 . . . . 0.0 112.815 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 124.084 0.954 . . . . 0.0 113.159 -179.172 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.733 -0.099 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -29.57 58.54 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.365 -0.834 . . . . 0.0 112.444 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -47.76 74.18 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.81 -49.15 77.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.294 1.038 . . . . 0.0 110.951 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -55.18 -49.21 72.47 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.397 0.679 . . . . 0.0 112.185 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.51 73.19 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.918 0.887 . . . . 0.0 113.037 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.0 m -56.15 -49.49 73.79 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.386 0.674 . . . . 0.0 112.112 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.61 -43.04 98.03 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.386 1.074 . . . . 0.0 113.022 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.82 -45.23 90.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.835 1.254 . . . . 0.0 112.357 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.02 -51.9 66.13 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.199 1.0 . . . . 0.0 112.123 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -62.72 -42.97 99.92 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.14 82.81 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.89 -7.45 45.76 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.149 1.78 . . . . 0.0 113.964 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.39 11.63 55.49 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.095 1.331 . . . . 0.0 114.736 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -124.5 59.48 20.54 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.303 1.441 . . . . 0.0 112.614 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.5 -20.18 48.01 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.287 2.658 . . . . 0.0 113.386 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -45.39 64.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.544 1.538 . . . . 0.0 112.101 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -62.17 -53.16 59.28 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.769 174.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.93 69.62 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 113.345 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -63.33 -20.23 65.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -88.54 -0.29 57.08 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.505 1.522 . . . . 0.0 114.251 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -60.64 -53.38 58.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.668 1.122 . . . . 0.0 112.339 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.76 -17.38 64.03 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -84.43 -5.11 59.25 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.13 1.372 . . . . 0.0 113.005 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 m 61.4 16.73 7.72 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 128.315 2.646 . . . . 0.0 115.272 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -88.34 20.65 3.19 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.45 1.5 . . . . 0.0 114.045 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.54 -57.66 21.25 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.53 79.39 3.34 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 122.993 2.462 . . . . 0.0 112.06 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 pt -123.78 61.86 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.855 1.662 . . . . 0.0 111.646 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.69 74.22 0.36 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.244 1.817 . . . . 0.0 111.845 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -53.59 -39.17 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.659 1.184 . . . . 0.0 111.515 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.475 0.815 0 C-N-CA 125.059 1.344 . . . . 0.0 112.293 175.497 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -66.59 -39.37 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.752 1.221 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.0 -59.22 11.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.23 -30.19 31.32 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.149 1.899 . . . . 0.0 113.11 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.09 -51.38 68.11 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.697 1.135 . . . . 0.0 111.389 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -53.74 -43.71 69.34 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.324 0.65 . . . . 0.0 112.69 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -61.53 -55.31 32.39 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.741 0.816 . . . . 0.0 112.189 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -63.03 -30.21 71.42 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.71 -56.64 7.47 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.494 0.718 . . . . 0.0 111.397 167.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.54 -39.0 78.97 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 t -63.14 -30.64 71.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.312 0.96 . . . . 0.0 113.014 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -80.17 -24.8 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -55.76 -37.55 68.68 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.842 1.201 . . . . 0.0 112.23 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -53.59 -40.87 66.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.165 1.786 . . . . 0.0 112.869 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.4 m -93.16 -24.41 18.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.063 1.345 . . . . 0.0 113.524 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 124.614 1.166 . . . . 0.0 112.536 175.292 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.766 0.317 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.57 -27.76 58.61 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.557 1.143 . . . . 0.0 113.773 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.84 58.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.009 0.822 . . . . 0.0 112.11 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -55.77 -52.85 62.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.569 1.547 . . . . 0.0 110.805 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.58 -40.44 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -55.33 36.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.117 1.326 . . . . 0.0 112.036 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.0 m -56.21 -50.87 70.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.206 0.603 . . . . 0.0 112.26 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.99 -42.22 98.91 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.689 0.796 . . . . 0.0 112.959 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.542 0.737 . . . . 0.0 112.622 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.39 -38.63 74.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.962 0.801 . . . . 0.0 112.398 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -65.62 -48.67 71.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.579 0.751 . . . . 0.0 111.28 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.13 76.73 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.548 1.139 . . . . 0.0 113.433 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -7.67 45.08 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.9 1.68 . . . . 0.0 114.336 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 13.08 67.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.878 1.228 . . . . 0.0 114.719 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -125.93 59.83 30.89 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.315 1.446 . . . . 0.0 112.635 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.09 -18.59 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.243 2.628 . . . . 0.0 113.488 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -54.81 -45.41 74.39 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.645 1.178 . . . . 0.0 111.885 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -62.02 -44.09 97.45 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.995 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.04 84.92 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.577 1.08 . . . . 0.0 112.712 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -61.04 -20.9 63.08 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.2 mt -68.37 -15.73 63.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.552 1.069 . . . . 0.0 113.542 173.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.14 -56.76 9.79 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.862 1.21 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 -24.17 65.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.162 0.985 . . . . 0.0 112.857 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -83.59 -4.15 58.32 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.889 1.275 . . . . 0.0 113.738 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.5 m 62.11 37.64 14.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.017 2.127 . . . . 0.0 114.643 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -122.9 21.4 9.9 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.683 1.593 . . . . 0.0 114.336 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.8 -50.55 87.37 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 120.449 -1.407 . . . . 0.0 114.436 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -77.55 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.159 2.573 . . . . 0.0 112.362 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.6 pt -129.65 50.79 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.024 1.73 . . . . 0.0 112.148 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 51.93 75.77 0.2 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.25 1.82 . . . . 0.0 112.705 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.17 -31.89 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.223 1.009 . . . . 0.0 111.367 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 124.883 1.273 . . . . 0.0 112.251 178.172 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.38 -27.2 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.793 1.237 . . . . 0.0 112.799 -176.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.11 -60.7 8.82 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.178 0.991 . . . . 0.0 112.583 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -66.2 -28.23 48.21 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.288 1.992 . . . . 0.0 113.764 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -54.19 -53.71 49.69 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.1 1.318 . . . . 0.0 111.043 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.02 -49.45 75.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 122.817 0.447 . . . . 0.0 112.038 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -55.18 -58.43 7.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.499 0.719 . . . . 0.0 112.401 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 -58.75 -38.14 77.78 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.732 0.813 . . . . 0.0 112.962 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.11 -51.89 61.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.402 0.681 . . . . 0.0 111.549 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -56.93 -38.14 72.49 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.829 1.252 . . . . 0.0 113.761 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -51.78 -57.67 8.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.449 1.5 . . . . 0.0 111.889 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.73 -27.97 61.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.032 0.933 . . . . 0.0 113.105 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -56.97 -36.82 70.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -49.45 -48.78 47.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.765 1.226 . . . . 0.0 112.17 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 48.4 t -69.83 -54.17 14.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.7 1.2 . . . . 0.0 111.893 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.472 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.85 -42.56 65.33 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.339 1.427 . . . . 0.0 112.755 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.8 -48.29 66.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.662 0.785 . . . . 0.0 112.78 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.07 -35.97 81.97 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.81 -43.03 99.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.345 1.058 . . . . 0.0 111.525 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.0 -59.19 5.25 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.469 1.031 . . . . 0.0 112.465 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.6 p -62.32 -41.13 98.3 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.039 0.836 . . . . 0.0 113.126 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.29 -38.92 93.04 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.917 -1.114 . . . . 0.0 112.995 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.64 -51.64 64.3 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.069 0.948 . . . . 0.0 112.246 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.95 -36.05 78.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.778 1.172 . . . . 0.0 112.327 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.46 -53.23 60.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.685 1.194 . . . . 0.0 111.627 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.72 78.99 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -26.38 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.51 1.524 . . . . 0.0 113.904 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.59 6.5 9.48 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.746 1.165 . . . . 0.0 115.483 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -125.5 64.27 47.54 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 119.053 1.426 . . . . 0.0 111.948 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -66.38 -23.97 50.59 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.362 2.708 . . . . 0.0 113.339 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -52.5 -44.64 65.82 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.476 1.511 . . . . 0.0 112.897 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.91 -49.0 64.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.91 -47.83 70.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.233 1.013 . . . . 0.0 113.216 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.7 -25.58 66.51 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.35 -0.98 24.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 114.244 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -60.2 -60.78 3.28 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.721 1.146 . . . . 0.0 112.761 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.19 -23.37 63.91 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.67 -8.0 51.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.162 1.385 . . . . 0.0 113.379 168.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.01 35.38 13.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.816 2.046 . . . . 0.0 113.594 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -121.78 30.82 6.5 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.867 1.667 . . . . 0.0 112.747 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -61.87 -53.82 56.64 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 165.247 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.97 78.47 3.15 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 123.351 2.701 . . . . 0.0 112.475 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.0 pt -131.67 74.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.708 1.603 . . . . 0.0 112.158 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m120 53.82 70.33 0.61 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.809 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.29 -22.9 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.129 1.372 . . . . 0.0 112.604 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.479 1.018 0 C-N-CA 125.031 1.332 . . . . 0.0 112.587 174.295 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 CA--C 1.545 0.788 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.7 t -64.05 -35.09 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 126.273 1.829 . . . . 0.0 112.971 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.22 -63.04 4.66 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.966 0.907 . . . . 0.0 113.223 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -67.65 -25.28 40.53 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 122.369 2.046 . . . . 0.0 113.737 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.39 -42.12 81.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.078 0.854 . . . . 0.0 111.441 168.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.39 -51.18 66.89 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.37 -0.831 . . . . 0.0 112.049 170.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -52.31 -60.91 2.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.206 1.002 . . . . 0.0 113.005 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.69 -37.88 88.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' A' ' 45' ' ' PHE . 79.3 mt -60.53 -49.2 78.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.221 0.608 . . . . 0.0 111.46 170.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.4 -37.9 82.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.601 1.16 . . . . 0.0 113.932 176.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -55.12 -52.5 63.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.362 0.983 . . . . 0.0 111.575 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 45' ' ' PHE . 69.6 mt -73.38 -26.65 61.09 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -40.73 71.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.06 . . . . 0.0 112.677 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -51.45 -48.28 62.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.156 1.382 . . . . 0.0 112.283 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.9 m -79.1 -38.03 37.23 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.543 1.137 . . . . 0.0 113.01 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.753 0 C-N-CA 124.603 1.161 . . . . 0.0 112.876 -179.484 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -54.4 -39.81 67.63 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.055 0.942 . . . . 0.0 112.059 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.58 95.25 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.43 -54.92 41.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.353 1.061 . . . . 0.0 110.954 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -59.56 -42.24 91.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.365 1.066 . . . . 0.0 112.737 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.74 -53.76 54.0 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.674 1.19 . . . . 0.0 112.658 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.353 1.061 . . . . 0.0 112.251 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.73 -38.74 76.97 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -61.15 -43.8 98.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.874 0.87 . . . . 0.0 112.116 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.56 -41.32 69.66 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.32 1.048 . . . . 0.0 113.444 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.22 -54.12 49.56 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.976 1.31 . . . . 0.0 111.074 173.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.88 73.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.582 1.153 . . . . 0.0 113.936 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.07 -11.84 61.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.861 1.664 . . . . 0.0 114.195 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.29 13.51 55.74 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.932 1.254 . . . . 0.0 114.602 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.96 58.69 30.89 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.969 1.308 . . . . 0.0 112.683 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.31 -19.69 55.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.137 2.558 . . . . 0.0 113.262 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -53.9 -48.63 69.93 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.454 1.102 . . . . 0.0 112.369 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -65.28 -39.24 92.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.654 -0.654 . . . . 0.0 111.461 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.82 94.1 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.88 0.764 . . . . 0.0 112.226 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.53 -33.33 71.26 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.36 -10.6 17.41 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -63.31 -48.1 79.47 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.351 1.432 . . . . 0.0 111.708 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -69.21 -24.88 64.09 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.073 0.949 . . . . 0.0 112.645 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.03 -6.06 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.88 1.272 . . . . 0.0 113.347 171.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 m 59.63 39.05 21.73 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.719 2.008 . . . . 0.0 114.02 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -121.54 24.46 9.83 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.741 1.616 . . . . 0.0 114.062 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.32 -47.41 99.08 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 120.333 -1.479 . . . . 0.0 114.641 165.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.76 77.09 4.21 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.971 2.447 . . . . 0.0 112.572 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 pt -130.72 51.77 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.744 1.618 . . . . 0.0 112.667 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 58.99 78.18 0.27 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.866 1.666 . . . . 0.0 112.435 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -51.85 -48.29 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.173 1.389 . . . . 0.0 111.56 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 124.028 0.931 . . . . 0.0 113.503 -178.73 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 121.361 0.601 . . . . 0.0 111.934 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.8 -29.15 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.113 1.365 . . . . 0.0 112.217 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.14 -57.55 16.04 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.388 1.475 . . . . 0.0 113.924 174.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.78 -35.34 36.71 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.745 1.63 . . . . 0.0 112.23 173.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.67 -21.98 66.66 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 p -91.13 -46.63 7.99 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.686 1.585 . . . . 0.0 112.332 167.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -59.46 -50.4 74.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.498 1.119 . . . . 0.0 113.22 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.01 -41.88 99.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.201 1.0 . . . . 0.0 112.367 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.96 -37.9 82.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.939 0.896 . . . . 0.0 112.134 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.11 -34.36 73.38 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.01 0.924 . . . . 0.0 113.108 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.2 m -64.75 -53.56 45.12 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.56 -0.712 . . . . 0.0 111.695 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.84 -26.5 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.27 -44.12 79.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.923 . . . . 0.0 112.118 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -49.76 76.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.854 0.862 . . . . 0.0 111.574 174.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.48 -31.82 72.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.019 1.328 . . . . 0.0 113.583 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 125.301 1.441 . . . . 0.0 113.228 174.708 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.2 mt . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -64.98 -35.77 82.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.167 0.587 . . . . 0.0 112.451 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.4 78.87 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -55.18 -54.93 37.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.657 1.183 . . . . 0.0 110.786 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.98 -44.62 94.36 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.496 0.719 . . . . 0.0 112.664 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.3 -55.46 34.53 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.729 1.15 . . . . 0.0 113.015 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.5 t -59.67 -48.71 80.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.328 0.651 . . . . 0.0 112.218 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.58 -35.91 82.2 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -62.02 -48.93 78.09 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.441 -0.787 . . . . 0.0 111.95 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -37.08 79.76 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.353 0.978 . . . . 0.0 112.822 177.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.27 -47.82 84.25 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.418 1.487 . . . . 0.0 111.784 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.11 76.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.467 1.107 . . . . 0.0 113.853 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.5 -13.29 60.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.994 1.718 . . . . 0.0 114.489 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.49 15.14 55.91 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.64 1.114 . . . . 0.0 114.423 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -124.52 59.69 21.55 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.937 1.295 . . . . 0.0 112.239 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -68.93 -15.39 40.13 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.0 2.466 . . . . 0.0 113.264 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -52.33 -53.74 40.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.687 1.195 . . . . 0.0 112.186 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -66.66 -38.25 86.45 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.557 -0.714 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.79 90.42 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.768 0.713 . . . . 0.0 112.504 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -62.79 -31.37 72.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 113.613 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.35 -10.41 24.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.277 1.031 . . . . 0.0 113.616 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.68 -50.41 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.018 1.281 . . . . 0.0 112.097 170.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.19 -29.54 69.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.338 1.055 . . . . 0.0 112.627 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.9 -2.7 52.13 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.616 1.167 . . . . 0.0 113.549 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 t 54.1 56.14 7.39 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.307 2.243 . . . . 0.0 113.386 -173.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -127.93 17.06 6.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.658 1.983 . . . . 0.0 113.051 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.93 99.52 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 120.529 -1.357 . . . . 0.0 114.478 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.98 79.84 3.19 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.002 2.468 . . . . 0.0 112.583 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 pt -131.33 45.82 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 126.09 1.756 . . . . 0.0 112.672 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 62.07 84.21 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.816 2.046 . . . . 0.0 112.246 -175.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.6 -42.38 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 125.506 1.523 . . . . 0.0 112.737 177.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -75.44 -27.6 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.686 1.195 . . . . 0.0 112.645 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.26 -59.59 12.89 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 121.014 -1.053 . . . . 0.0 113.564 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.01 -27.95 42.04 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.521 2.147 . . . . 0.0 113.592 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.32 -47.04 79.52 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.169 0.895 . . . . 0.0 111.2 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 t -55.18 -44.41 75.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.344 0.657 . . . . 0.0 112.249 176.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -57.92 -59.91 4.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.448 1.099 . . . . 0.0 112.038 174.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.7 -34.64 78.77 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -173.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.5 -40.72 93.38 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.075 0.852 . . . . 0.0 112.65 172.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.89 -37.5 82.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.329 1.052 . . . . 0.0 112.561 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 m -57.86 -57.06 14.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.852 1.261 . . . . 0.0 112.247 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.62 -27.85 65.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.11 -46.31 68.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.82 0.848 . . . . 0.0 111.835 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.91 -50.87 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.528 0.731 . . . . 0.0 112.463 176.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.12 -42.64 99.44 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.338 0.655 . . . . 0.0 112.307 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 124.552 1.141 . . . . 0.0 113.3 176.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.59 -35.06 73.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.394 -0.816 . . . . 0.0 111.891 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.88 -38.11 54.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.967 0.907 . . . . 0.0 113.329 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -55.84 -50.49 70.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.231 1.412 . . . . 0.0 111.758 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.87 -38.47 78.86 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.25 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.714 0.805 . . . . 0.0 113.078 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.43 -30.31 71.35 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.52 -51.07 25.59 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.271 0.941 . . . . 0.0 112.358 172.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -58.53 -40.55 83.25 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.516 -0.74 . . . . 0.0 112.627 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.42 -31.55 65.98 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -72.51 -48.06 43.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.631 0.772 . . . . 0.0 111.105 174.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.29 72.54 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.69 1.196 . . . . 0.0 113.233 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.25 -11.49 59.44 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.627 1.571 . . . . 0.0 114.408 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.27 14.8 63.44 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.969 1.271 . . . . 0.0 114.513 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -124.31 58.16 15.68 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 112.527 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.33 -19.58 55.73 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.108 2.539 . . . . 0.0 113.42 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -54.73 -37.44 65.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -58.06 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.538 0.608 . . . . 0.0 110.702 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -44.79 64.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.236 1.014 . . . . 0.0 113.341 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -63.03 -23.03 67.26 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.37 -2.11 54.99 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.231 1.412 . . . . 0.0 114.066 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CD1' HD23 ' A' ' 74' ' ' LEU . 15.2 t80 -60.2 -51.57 69.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.65 1.114 . . . . 0.0 112.294 175.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.68 -25.3 67.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.349 1.06 . . . . 0.0 113.085 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -88.62 3.21 51.37 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.279 1.432 . . . . 0.0 113.143 174.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.4 m 55.17 31.95 17.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.871 2.068 . . . . 0.0 113.982 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -101.34 13.47 34.97 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.876 2.07 . . . . 0.0 113.25 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' CE2' HD22 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -57.03 -56.61 31.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 120.825 -1.172 . . . . 0.0 113.847 169.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.05 81.24 2.26 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.296 2.664 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 pt -125.04 76.39 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.028 1.731 . . . . 0.0 111.418 175.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.0 t30 50.15 52.01 15.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.508 1.523 . . . . 0.0 112.708 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.8 mt -52.88 -43.81 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.784 1.633 . . . . 0.0 111.536 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 125.823 1.649 . . . . 0.0 114.302 177.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.5 tp . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.21 -30.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.401 1.48 . . . . 0.0 112.835 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.77 -62.77 3.62 Favored Pre-proline 0 N--CA 1.475 0.788 0 CA-C-O 118.244 -0.884 . . . . 0.0 112.098 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -65.41 -31.61 51.54 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.425 2.084 . . . . 0.0 113.209 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.4 tp -51.31 -55.45 18.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.967 1.258 . . . . 0.0 111.067 170.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.6 t -63.37 -50.47 69.81 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.876 -0.515 . . . . 0.0 112.314 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -55.46 -50.72 69.12 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.562 1.545 . . . . 0.0 112.993 -175.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.65 -43.18 94.47 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.591 1.156 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.83 -48.82 80.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.595 0.758 . . . . 0.0 111.825 172.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.33 -39.29 86.55 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.355 1.462 . . . . 0.0 113.35 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.0 m -58.81 -44.76 90.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.226 1.01 . . . . 0.0 111.618 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 45' ' ' PHE . 8.7 mp -75.19 -31.14 60.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -54.65 -39.27 67.84 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.365 1.066 . . . . 0.0 112.551 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -50.4 -41.03 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.417 1.887 . . . . 0.0 113.047 172.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.3 t -88.0 -37.69 16.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.972 1.309 . . . . 0.0 112.667 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.296 1.438 . . . . 0.0 113.823 -176.167 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.33 -49.06 70.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.038 0.935 . . . . 0.0 112.196 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.08 83.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.73 0.812 . . . . 0.0 112.908 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -60.53 -54.34 46.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.501 1.52 . . . . 0.0 112.045 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.11 -30.8 71.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.845 0.858 . . . . 0.0 113.276 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.65 5.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.945 1.248 . . . . 0.0 112.427 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 m -57.31 -44.33 84.03 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.25 0.62 . . . . 0.0 112.556 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.07 -40.55 98.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -62.69 -45.07 94.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.717 0.807 . . . . 0.0 112.373 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.04 -45.88 71.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.228 0.922 . . . . 0.0 112.031 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -61.18 -53.27 59.02 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 111.96 173.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.61 74.2 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.693 1.197 . . . . 0.0 113.796 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.87 -11.99 61.06 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.034 1.734 . . . . 0.0 114.341 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.98 8.33 48.22 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.791 1.186 . . . . 0.0 115.332 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.36 65.21 57.96 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 119.1 1.45 . . . . 0.0 112.455 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.3 -17.54 54.25 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.189 2.593 . . . . 0.0 113.872 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.24 -36.97 53.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.665 1.186 . . . . 0.0 113.074 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -69.93 -53.8 16.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.357 0.663 . . . . 0.0 111.061 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.64 -44.45 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.371 1.068 . . . . 0.0 113.521 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -64.72 -14.83 60.17 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.75 3.7 55.14 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.432 1.493 . . . . 0.0 113.777 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.99 -58.42 8.51 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.591 1.087 . . . . 0.0 112.109 175.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.5 -25.96 64.31 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.404 0.682 . . . . 0.0 112.759 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.86 -5.39 48.19 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.55 1.14 . . . . 0.0 113.096 170.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 m 58.27 39.94 25.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.943 2.497 . . . . 0.0 114.907 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -116.87 29.6 7.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.905 1.282 . . . . 0.0 113.058 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.97 -54.47 56.14 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.432 1.093 . . . . 0.0 113.558 164.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.08 83.4 2.14 Favored 'Trans proline' 0 CA--C 1.546 1.098 0 C-N-CA 123.188 2.592 . . . . 0.0 112.628 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 pt -133.81 64.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.602 1.561 . . . . 0.0 112.642 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 48.82 79.75 0.07 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.845 1.658 . . . . 0.0 113.089 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.51 -36.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 121.091 -1.006 . . . . 0.0 111.561 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 125.974 1.71 . . . . 0.0 113.14 176.752 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.13 -32.83 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.676 1.19 . . . . 0.0 112.401 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -51.49 -63.14 2.2 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-O 118.13 -0.938 . . . . 0.0 113.089 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.15 -35.59 63.27 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.111 1.874 . . . . 0.0 112.73 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 63.0 tp -54.81 -55.19 32.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.231 1.012 . . . . 0.0 111.744 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.88 -42.8 99.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.456 0.702 . . . . 0.0 112.299 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -58.52 -56.24 24.64 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.011 1.325 . . . . 0.0 112.713 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -58.9 -42.21 89.04 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.359 0.981 . . . . 0.0 112.46 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.02 -55.64 32.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.599 1.159 . . . . 0.0 111.299 170.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.0 -35.31 74.76 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.0 m -59.59 -54.87 41.47 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.291 1.036 . . . . 0.0 111.268 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.3 -24.44 62.14 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -54.15 -33.58 58.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.401 1.001 . . . . 0.0 112.699 171.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.45 -50.22 70.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.965 0.906 . . . . 0.0 111.609 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.4 m -77.42 -38.56 49.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.781 0.832 . . . . 0.0 113.103 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 124.243 1.017 . . . . 0.0 113.543 -177.225 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 119.035 -0.507 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HB3' HG21 ' A' ' 73' ' ' THR . 26.5 mm-40 -58.81 -46.32 87.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.322 0.965 . . . . 0.0 112.741 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.25 87.33 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.623 0.647 . . . . 0.0 112.283 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -59.52 -56.21 24.8 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.373 1.469 . . . . 0.0 111.251 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.64 -38.1 83.69 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.377 1.071 . . . . 0.0 112.946 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -53.27 60.08 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 120.507 1.503 . . . . 0.0 111.832 174.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.98 -52.34 65.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.472 1.109 . . . . 0.0 112.044 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -69.95 -27.75 65.0 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -74.99 -42.03 58.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.865 -1.147 . . . . 0.0 112.231 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -56.58 -44.33 80.91 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.806 0.73 . . . . 0.0 112.311 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -61.99 -44.81 95.95 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -33.67 76.29 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.293 1.037 . . . . 0.0 113.313 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -7.06 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.042 1.737 . . . . 0.0 114.085 172.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.26 11.63 58.27 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.118 1.342 . . . . 0.0 114.46 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -125.93 59.85 31.01 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.049 1.34 . . . . 0.0 112.726 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -65.48 -21.15 60.64 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.214 2.609 . . . . 0.0 113.211 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -54.66 -40.45 69.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.914 1.286 . . . . 0.0 112.87 174.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.0 -50.64 65.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.623 0.647 . . . . 0.0 111.207 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.79 74.86 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.921 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -59.09 -28.46 66.52 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.78 0.42 34.85 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.162 1.385 . . . . 0.0 114.244 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -61.61 -61.93 2.17 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.544 1.066 . . . . 0.0 112.528 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.63 -22.16 64.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.48 -6.71 45.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.496 1.518 . . . . 0.0 113.578 169.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t 60.35 44.03 12.78 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.706 2.002 . . . . 0.0 112.977 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -122.78 16.27 10.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.262 1.825 . . . . 0.0 113.092 -173.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -56.15 38.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.01 83.4 1.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.89 2.393 . . . . 0.0 112.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.26 74.81 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.194 1.798 . . . . 0.0 110.859 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 m120 51.11 64.08 1.98 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.859 1.663 . . . . 0.0 112.049 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.11 -36.4 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.151 0.981 . . . . 0.0 111.902 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 124.182 0.993 . . . . 0.0 112.372 175.121 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 CA--C 1.546 0.806 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.81 -34.86 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.998 1.319 . . . . 0.0 112.419 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.78 -63.51 2.52 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.716 1.206 . . . . 0.0 112.366 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.62 -32.4 48.07 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.516 2.144 . . . . 0.0 113.397 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.5 tp -55.32 -52.5 63.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 120.166 1.348 . . . . 0.0 111.411 172.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.57 -53.09 60.93 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.603 0.761 . . . . 0.0 111.841 174.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -58.19 -55.07 39.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.601 1.56 . . . . 0.0 113.148 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -60.52 -39.11 86.62 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.243 0.929 . . . . 0.0 112.589 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.36 -52.17 65.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.552 0.741 . . . . 0.0 111.268 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -56.31 -42.79 78.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.565 1.146 . . . . 0.0 113.741 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 20' ' ' GLU . 68.0 m -61.65 -46.23 90.66 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.394 -0.817 . . . . 0.0 112.461 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.5 mt -72.28 -27.12 62.27 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.4 -34.34 72.33 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.449 1.022 . . . . 0.0 112.739 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -41.73 66.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.917 1.287 . . . . 0.0 112.482 171.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -87.99 -20.55 25.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.637 1.175 . . . . 0.0 113.863 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 124.487 1.115 . . . . 0.0 113.556 177.35 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.37 -49.42 64.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.909 0.884 . . . . 0.0 111.548 167.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.21 -37.34 66.47 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -54.51 -57.09 12.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.875 0.87 . . . . 0.0 111.205 171.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -62.59 -37.97 88.31 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.534 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -57.84 10.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.77 1.168 . . . . 0.0 112.655 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.9 -50.06 75.27 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.24 -47.82 83.94 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.281 1.032 . . . . 0.0 112.967 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -62.4 -41.01 98.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.963 0.905 . . . . 0.0 112.663 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.98 -34.96 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.905 0.775 . . . . 0.0 112.863 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -66.64 -49.35 66.52 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.445 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.83 73.95 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.765 1.226 . . . . 0.0 113.553 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.73 50.92 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.986 1.715 . . . . 0.0 114.095 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 12.2 67.63 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.145 1.355 . . . . 0.0 114.453 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -125.64 58.1 20.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.218 1.407 . . . . 0.0 112.919 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -65.17 -19.36 62.78 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.845 2.363 . . . . 0.0 113.2 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.18 -37.25 64.28 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.066 1.346 . . . . 0.0 113.452 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.46 -55.91 20.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.786 0.721 . . . . 0.0 110.74 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.87 77.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.773 0.829 . . . . 0.0 113.1 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.75 -29.58 69.48 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.03 2.17 24.85 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.708 1.603 . . . . 0.0 114.392 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -59.7 -57.16 14.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.499 1.12 . . . . 0.0 112.829 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.11 -20.71 64.07 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -74.97 -6.7 50.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.861 1.264 . . . . 0.0 113.26 169.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m 60.2 24.86 14.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.763 2.025 . . . . 0.0 114.016 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -94.94 11.56 31.4 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.761 1.624 . . . . 0.0 113.745 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.26 -51.69 79.77 Favored Pre-proline 0 CA--C 1.552 1.045 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 171.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.57 80.05 2.39 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 123.213 2.608 . . . . 0.0 112.367 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.18 62.98 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.986 1.714 . . . . 0.0 112.054 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.89 71.37 0.52 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.892 1.677 . . . . 0.0 112.005 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.4 mt -52.79 -42.74 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.331 1.052 . . . . 0.0 111.297 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 125.268 1.427 . . . . 0.0 113.017 177.671 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.9 t -73.61 -32.91 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.489 1.516 . . . . 0.0 112.528 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.76 -62.4 4.66 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.215 1.006 . . . . 0.0 113.142 174.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.87 -34.18 49.9 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.366 2.044 . . . . 0.0 112.882 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.5 tp -54.13 -53.57 51.5 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.388 0.994 . . . . 0.0 111.043 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.62 -47.25 73.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.317 1.047 . . . . 0.0 112.037 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.28 -59.04 6.04 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.156 0.982 . . . . 0.0 113.451 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.89 -42.16 97.55 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.498 1.119 . . . . 0.0 112.512 -172.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.61 -45.73 92.86 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.511 0.596 . . . . 0.0 111.73 172.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.47 -8.54 34.27 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.7 m -86.93 -57.75 2.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.553 1.141 . . . . 0.0 110.779 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.34 -35.6 78.0 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -59.92 -29.23 68.23 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.288 0.949 . . . . 0.0 112.952 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -65.91 -25.57 67.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.658 2.383 . . . . 0.0 113.16 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.4 m -96.76 -34.29 11.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.341 1.457 . . . . 0.0 112.036 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -178.712 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 119.621 -0.228 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -52.99 -58.56 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.457 1.103 . . . . 0.0 111.673 169.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.13 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.004 0.922 . . . . 0.0 112.748 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -58.59 -54.08 51.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.566 1.546 . . . . 0.0 112.186 177.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.21 -31.74 71.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.33 -52.14 14.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.677 0.791 . . . . 0.0 112.965 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 -49.69 76.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.865 1.266 . . . . 0.0 112.02 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.29 -45.56 92.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.271 1.028 . . . . 0.0 112.305 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -63.61 -45.85 88.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.0 mt -56.51 -42.48 78.44 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.148 0.886 . . . . 0.0 112.164 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.5 -54.25 47.74 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.436 1.094 . . . . 0.0 112.016 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.1 70.49 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -12.86 61.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.205 1.402 . . . . 0.0 113.958 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.39 7.07 40.76 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.416 1.484 . . . . 0.0 115.118 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -128.18 62.7 59.47 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.188 1.494 . . . . 0.0 112.997 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.05 -19.21 63.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.238 2.625 . . . . 0.0 113.597 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.29 -39.59 67.07 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.274 1.03 . . . . 0.0 112.92 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -65.31 -51.08 63.03 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.923 0.489 . . . . 0.0 110.848 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 -45.16 72.06 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.232 1.013 . . . . 0.0 113.265 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -61.61 -25.5 67.39 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.42 -0.24 25.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.01 1.324 . . . . 0.0 114.448 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -61.27 -54.29 45.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.64 1.109 . . . . 0.0 112.937 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.73 -24.22 66.2 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -81.94 -2.79 52.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.914 1.286 . . . . 0.0 113.006 171.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t 52.62 49.82 19.54 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.393 2.677 . . . . 0.0 113.908 -176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -122.53 26.79 8.16 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.179 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.44 -54.62 36.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.681 1.192 . . . . 0.0 114.041 166.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -77.75 78.36 3.57 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.122 2.548 . . . . 0.0 112.165 -176.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 pt -127.65 76.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.96 1.704 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 m120 50.46 64.63 1.73 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.58 1.552 . . . . 0.0 112.412 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.54 HD11 HD21 ' A' ' 75' ' ' ASN . 55.4 mt -49.59 -48.44 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.588 1.555 . . . . 0.0 111.469 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.47 0.554 0 C-N-CA 124.714 1.206 . . . . 0.0 113.354 177.375 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.63 -36.38 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.822 1.249 . . . . 0.0 112.652 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.93 -65.07 1.36 Allowed Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.813 1.245 . . . . 0.0 113.415 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -65.43 -34.3 43.97 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.313 2.009 . . . . 0.0 112.95 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.08 -51.81 62.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.258 1.39 . . . . 0.0 111.348 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.4 t -58.41 -53.5 57.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.673 0.789 . . . . 0.0 112.115 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.98 -48.57 81.16 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.8 mmt-85 -64.19 -38.59 91.6 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.12 0.873 . . . . 0.0 112.277 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.35 -49.69 75.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.738 0.699 . . . . 0.0 111.544 170.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -59.17 -28.9 67.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.294 1.038 . . . . 0.0 113.751 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.5 m -62.94 -55.75 23.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.563 1.145 . . . . 0.0 112.217 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.11 -25.81 66.39 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.382 -0.824 . . . . 0.0 113.132 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.54 HD21 HD11 ' A' ' 49' ' ' ILE . 88.2 m-20 -56.81 -27.64 60.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -51.62 -41.98 61.68 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.813 1.245 . . . . 0.0 111.985 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.3 t -90.7 -44.81 9.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.489 1.116 . . . . 0.0 112.398 175.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -175.843 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.74 -32.02 63.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.22 0.918 . . . . 0.0 112.699 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.35 69.89 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.657 1.183 . . . . 0.0 113.092 171.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.45 -44.26 91.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.14 -38.49 86.59 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.481 1.112 . . . . 0.0 112.412 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.2 60.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.712 1.142 . . . . 0.0 112.2 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.0 t -56.5 -54.31 47.31 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.258 1.023 . . . . 0.0 112.008 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.78 -44.24 90.62 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -60.67 -43.46 97.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.493 0.717 . . . . 0.0 112.621 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -56.91 -38.54 72.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.124 0.875 . . . . 0.0 112.284 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -66.95 -52.02 47.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.512 0.725 . . . . 0.0 111.928 172.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.62 72.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.94 -5.82 33.8 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.385 1.874 . . . . 0.0 114.368 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 8.77 59.08 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.061 1.315 . . . . 0.0 115.059 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -125.41 60.98 33.6 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 118.872 1.336 . . . . 0.0 112.66 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -66.19 -18.25 55.8 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.259 2.64 . . . . 0.0 114.008 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -51.53 -43.31 62.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.19 1.396 . . . . 0.0 112.63 172.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -67.18 -47.17 71.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.068 0.547 . . . . 0.0 111.433 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.92 75.24 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.939 0.896 . . . . 0.0 112.594 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -60.02 -33.12 71.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.114 0.965 . . . . 0.0 113.524 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.57 -5.75 35.66 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.229 1.412 . . . . 0.0 114.365 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -59.57 -56.0 27.39 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.638 1.108 . . . . 0.0 112.495 173.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.33 -18.72 63.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.935 0.894 . . . . 0.0 113.365 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.44 -1.76 51.12 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.51 1.524 . . . . 0.0 113.543 169.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m 59.28 36.16 23.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.483 1.913 . . . . 0.0 113.556 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -112.63 15.88 19.88 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.62 1.968 . . . . 0.0 113.358 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -51.05 84.63 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 169.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.52 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.044 2.496 . . . . 0.0 112.52 -177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -130.06 61.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.002 1.721 . . . . 0.0 112.121 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 49.02 79.13 0.08 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.858 2.063 . . . . 0.0 113.582 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.0 mt -56.69 -33.35 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.854 1.262 . . . . 0.0 112.114 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.479 0.998 0 O-C-N 120.91 -1.118 . . . . 0.0 112.241 178.537 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.22 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.561 1.144 . . . . 0.0 112.403 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.65 -61.86 7.04 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.454 1.102 . . . . 0.0 112.629 170.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -64.55 -29.94 61.24 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.076 1.851 . . . . 0.0 113.233 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.2 tp -55.02 -51.23 66.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.922 1.237 . . . . 0.0 111.305 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 37.6 t -59.07 -54.73 43.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.267 0.627 . . . . 0.0 111.915 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.43 -55.9 27.83 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.862 1.265 . . . . 0.0 113.203 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -59.54 -40.18 86.36 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.081 0.855 . . . . 0.0 112.835 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.69 -51.27 67.86 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.349 0.66 . . . . 0.0 111.169 171.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.15 -36.04 70.26 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.714 1.606 . . . . 0.0 114.147 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.0 m -55.23 -62.02 1.95 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.697 1.199 . . . . 0.0 111.371 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.61 -19.68 61.42 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -56.11 -38.95 71.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.59 1.156 . . . . 0.0 112.269 171.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -43.87 78.49 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.328 1.451 . . . . 0.0 112.223 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 83.7 m -72.05 -52.07 18.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.21 1.404 . . . . 0.0 111.868 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 125.044 1.337 . . . . 0.0 114.397 -175.006 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 119.8 -0.143 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.81 -54.6 40.13 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.951 1.301 . . . . 0.0 111.829 175.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.17 91.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.278 1.031 . . . . 0.0 112.312 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -59.03 -52.25 66.56 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.164 . . . . 0.0 112.006 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -57.38 -47.86 80.55 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.546 1.539 . . . . 0.0 112.1 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.79 84.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.63 0.772 . . . . 0.0 113.014 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.69 -53.36 59.26 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.618 1.167 . . . . 0.0 111.993 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.77 -39.89 94.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.161 0.985 . . . . 0.0 112.998 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -60.63 -48.27 82.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.609 0.763 . . . . 0.0 111.475 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.55 -37.66 70.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.27 0.941 . . . . 0.0 112.749 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -60.99 -58.98 6.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.637 0.775 . . . . 0.0 112.018 169.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.46 68.59 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.28 -10.78 59.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.162 2.185 . . . . 0.0 114.717 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.77 56.18 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.532 1.063 . . . . 0.0 114.936 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -127.9 58.69 34.59 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.175 1.39 . . . . 0.0 112.911 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.8 -22.28 63.79 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.098 2.532 . . . . 0.0 113.757 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.21 -51.76 68.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.643 0.777 . . . . 0.0 111.207 174.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.82 -38.91 76.43 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.729 0.695 . . . . 0.0 112.505 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.7 89.11 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.094 0.861 . . . . 0.0 112.791 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.6 -28.73 67.43 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.03 -7.33 21.87 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.53 -54.93 36.63 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.313 1.415 . . . . 0.0 111.326 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.84 -23.24 65.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.51 -5.86 58.39 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.794 1.238 . . . . 0.0 113.255 172.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t 56.82 52.97 8.72 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.427 2.291 . . . . 0.0 113.377 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -132.66 22.26 4.28 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.651 1.581 . . . . 0.0 113.748 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.96 -54.03 58.31 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.99 77.7 3.84 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 123.36 2.707 . . . . 0.0 112.389 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 pt -128.14 65.32 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.164 1.786 . . . . 0.0 111.863 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m120 52.71 70.27 0.59 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.309 1.844 . . . . 0.0 112.146 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.06 -39.27 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.09 0.956 . . . . 0.0 111.342 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 125.266 1.426 . . . . 0.0 112.57 176.766 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.7 t -90.73 -21.72 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.995 1.318 . . . . 0.0 112.673 -170.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.23 -62.24 5.61 Favored Pre-proline 0 CA--C 1.549 0.912 0 O-C-N 120.926 -1.109 . . . . 0.0 112.628 166.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.53 -26.61 54.39 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 122.278 1.986 . . . . 0.0 112.978 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.94 -48.82 75.05 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.282 0.947 . . . . 0.0 111.844 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.05 -47.66 80.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.09 0.556 . . . . 0.0 111.865 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.96 -52.76 63.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.653 0.781 . . . . 0.0 111.87 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -65.01 -35.53 81.48 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.94 -33.73 76.72 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.173 0.897 . . . . 0.0 112.918 171.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -69.78 -30.32 67.85 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.87 . . . . 0.0 113.021 171.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -59.91 -54.3 47.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.296 1.039 . . . . 0.0 113.305 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.24 -24.95 64.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.182 0.993 . . . . 0.0 112.593 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.45 -29.61 64.35 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.76 1.224 . . . . 0.0 112.917 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.38 -52.89 19.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.209 1.804 . . . . 0.0 111.731 169.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 49.8 t -74.91 -53.36 9.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.064 1.345 . . . . 0.0 111.433 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -172.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -55.84 -40.28 72.62 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.273 0.629 . . . . 0.0 112.154 171.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.78 91.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -61.82 -54.85 36.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.825 0.85 . . . . 0.0 111.862 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.22 -26.49 68.15 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.41 -58.29 8.17 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.339 0.972 . . . . 0.0 112.469 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m -59.98 -41.53 92.21 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.89 -47.17 84.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.626 0.77 . . . . 0.0 112.877 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.93 -42.0 97.28 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.609 0.764 . . . . 0.0 112.672 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.71 -35.42 66.08 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.856 0.753 . . . . 0.0 112.764 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -66.69 -52.18 47.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.649 0.78 . . . . 0.0 111.666 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.57 72.08 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.656 1.183 . . . . 0.0 113.457 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.97 -9.67 55.93 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.787 1.635 . . . . 0.0 114.666 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.65 7.23 56.89 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.037 1.303 . . . . 0.0 115.104 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -128.61 63.08 63.61 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 118.922 1.361 . . . . 0.0 112.567 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.39 -20.0 69.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.887 2.391 . . . . 0.0 113.172 177.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -58.31 -35.82 72.42 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.01 -45.95 89.97 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.13 1.332 . . . . 0.0 111.664 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.34 -32.5 66.79 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -63.31 -30.42 71.56 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.11 -11.14 60.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.828 1.195 . . . . 0.0 112.998 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -63.23 -49.82 72.64 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.58 1.082 . . . . 0.0 111.566 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.37 -27.41 65.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.869 0.868 . . . . 0.0 112.623 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.17 -5.84 52.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.503 1.521 . . . . 0.0 113.717 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m 59.66 38.65 21.85 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.812 2.045 . . . . 0.0 114.215 -176.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -125.16 31.78 5.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.915 1.686 . . . . 0.0 113.24 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.97 -45.35 86.83 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 163.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -79.05 76.61 4.46 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.023 2.482 . . . . 0.0 112.212 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.8 58.65 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.71 1.604 . . . . 0.0 112.266 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.7 m120 54.23 76.6 0.23 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.311 1.845 . . . . 0.0 112.207 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.58 -43.39 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.452 0.701 . . . . 0.0 111.079 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.478 0.966 0 C-N-CA 124.686 1.194 . . . . 0.0 113.201 -179.551 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.75 -33.43 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.535 1.134 . . . . 0.0 111.781 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.27 -68.25 0.73 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.014 1.326 . . . . 0.0 112.902 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -62.02 -31.89 84.01 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 121.621 1.615 . . . . 0.0 112.543 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.1 tp -54.58 -59.41 4.74 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.175 0.99 . . . . 0.0 111.777 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 p -63.48 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.98 -52.47 65.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.826 1.193 . . . . 0.0 112.317 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -65.71 -34.31 77.9 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.41 -43.65 85.17 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.89 0.768 . . . . 0.0 112.222 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -62.13 -44.19 97.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.149 1.38 . . . . 0.0 114.064 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t -62.2 -35.59 79.32 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.76 1.164 . . . . 0.0 113.014 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.62 -26.35 57.7 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.01 -37.1 78.71 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.701 1.137 . . . . 0.0 112.545 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -55.88 -53.68 53.82 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.295 1.038 . . . . 0.0 111.384 171.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.4 m -60.04 -48.41 81.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.658 1.183 . . . . 0.0 112.369 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -177.804 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 mmt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -66.11 131.25 45.74 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.56 1.073 . . . . 0.0 112.547 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -151.26 167.45 27.82 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.341 1.856 . . . . 0.0 111.412 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -101.47 -51.72 3.4 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.571 1.148 . . . . 0.0 111.78 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -149.72 166.7 28.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.719 1.608 . . . . 0.0 111.73 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -80.82 -74.14 0.33 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.157 0.983 . . . . 0.0 110.813 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -144.46 166.5 24.95 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.451 1.9 . . . . 0.0 111.355 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -107.81 73.14 0.89 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.443 1.497 . . . . 0.0 110.92 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -155.07 176.01 13.09 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 111.826 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.93 84.14 0.05 OUTLIER Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.52 1.057 . . . . 0.0 114.294 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -139.97 69.03 1.35 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.098 1.359 . . . . 0.0 111.587 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -154.12 81.7 4.57 Favored Pre-proline 0 N--CA 1.481 1.103 0 C-N-CA 124.649 1.18 . . . . 0.0 112.064 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.18 137.35 26.01 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.727 2.285 . . . . 0.0 111.498 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -141.11 171.02 14.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.422 1.889 . . . . 0.0 111.548 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.55 -9.8 59.22 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.111 1.338 . . . . 0.0 115.441 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -71.54 38.1 0.06 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.66 2.384 . . . . 0.0 113.948 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -27.52 65.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -172.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.38 -21.66 61.25 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.101 -1.0 . . . . 0.0 113.471 173.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.68 -38.28 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.675 1.59 . . . . 0.0 109.863 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -56.01 -32.88 64.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.413 -0.804 . . . . 0.0 112.455 169.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.62 83.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.526 1.13 . . . . 0.0 113.814 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -63.5 -51.5 65.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.663 1.185 . . . . 0.0 111.02 174.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.3 -32.26 72.97 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.341 1.056 . . . . 0.0 113.048 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -58.56 8.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.545 1.138 . . . . 0.0 112.773 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.84 -52.33 64.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.414 0.686 . . . . 0.0 111.781 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -39.79 95.26 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -62.16 -44.05 97.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.492 0.717 . . . . 0.0 112.168 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -45.75 73.89 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.41 1.005 . . . . 0.0 111.581 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -62.5 -52.53 63.1 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.543 0.737 . . . . 0.0 111.893 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.32 -44.87 80.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.857 1.263 . . . . 0.0 113.237 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.66 -7.35 14.82 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.98 1.712 . . . . 0.0 114.678 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.45 10.93 43.09 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.103 1.335 . . . . 0.0 114.948 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -126.51 58.87 29.27 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 112.53 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.32 -20.54 48.7 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.122 2.548 . . . . 0.0 113.92 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -53.89 -48.55 69.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.351 1.06 . . . . 0.0 111.492 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -59.02 -49.89 76.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.678 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.58 -50.49 67.87 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 113.248 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -59.93 -31.4 69.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.031 0.932 . . . . 0.0 112.961 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -69.51 -4.4 18.72 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.64 -61.46 2.57 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.149 1.341 . . . . 0.0 112.452 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -70.9 -16.78 62.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.38 -0.07 35.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.777 1.231 . . . . 0.0 113.49 167.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.5 m 60.86 37.16 18.7 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.703 2.001 . . . . 0.0 113.79 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -121.38 15.54 11.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.25 1.82 . . . . 0.0 113.476 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -58.88 -53.47 66.08 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 169.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.61 80.79 2.69 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.089 2.526 . . . . 0.0 112.077 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.0 pt -126.62 57.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.022 1.729 . . . . 0.0 111.311 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 53.64 69.45 0.71 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.846 2.058 . . . . 0.0 112.968 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.94 -51.27 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.845 1.658 . . . . 0.0 111.467 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 p -60.24 -32.03 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.545 1.138 . . . . 0.0 113.543 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.86 -56.37 5.05 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.04 0.836 . . . . 0.0 111.365 174.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.8 m -62.8 -34.61 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -71.97 -21.04 61.64 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -93.37 4.77 53.43 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.829 1.652 . . . . 0.0 113.791 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -67.95 9.93 0.25 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.316 1.446 . . . . 0.0 114.667 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 54.88 40.46 31.99 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.944 2.098 . . . . 0.0 112.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.82 -34.87 79.16 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.061 1.344 . . . . 0.0 113.759 -172.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -130.82 159.46 37.27 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.176 2.19 . . . . 0.0 110.522 171.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -71.13 -41.79 70.04 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.292 1.037 . . . . 0.0 112.301 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.41 124.01 26.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.936 1.294 . . . . 0.0 112.869 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -82.68 -14.27 54.95 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.029 0.932 . . . . 0.0 113.362 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.49 -31.16 71.86 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.126 -0.984 . . . . 0.0 112.838 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.99 -22.68 64.08 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.193 1.797 . . . . 0.0 112.762 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.87 -28.58 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.803 1.241 . . . . 0.0 112.419 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.45 -59.13 14.84 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.835 -1.079 . . . . 0.0 113.59 173.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.58 -33.19 46.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.783 1.655 . . . . 0.0 112.73 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.87 -32.19 69.26 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.458 1.026 . . . . 0.0 112.385 170.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.4 -53.91 7.09 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.166 -0.958 . . . . 0.0 112.057 170.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -60.84 -46.96 88.53 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.322 1.449 . . . . 0.0 114.043 -174.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -67.11 -32.32 73.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.657 0.783 . . . . 0.0 112.626 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 45' ' ' PHE . 3.2 mm? -66.21 -50.73 62.82 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.561 0.744 . . . . 0.0 110.95 168.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -57.78 -44.88 86.54 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 t -61.27 -35.81 78.31 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.353 0.979 . . . . 0.0 113.085 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' CE2' ' A' ' 45' ' ' PHE . 61.0 mt -81.95 -25.12 35.12 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -55.28 -43.27 74.58 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.947 1.299 . . . . 0.0 112.169 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -52.79 -47.07 67.84 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.144 1.777 . . . . 0.0 112.593 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.2 m -75.62 -35.6 60.46 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.067 1.347 . . . . 0.0 113.038 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.58 88.2 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.031 1.332 . . . . 0.0 113.02 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.9 p 46.41 23.2 0.2 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.364 2.666 . . . . 0.0 116.771 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -70.83 116.0 10.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.275 1.43 . . . . 0.0 111.78 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.303 0 C-N-CA 128.834 2.854 . . . . 0.0 113.596 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptp . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.195 0.045 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -141.93 158.4 43.82 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.591 1.156 . . . . 0.0 111.573 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -126.01 70.46 1.22 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.904 1.681 . . . . 0.0 110.545 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.46 -37.04 77.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.532 0.733 . . . . 0.0 112.366 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -151.85 165.31 34.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.486 1.914 . . . . 0.0 110.2 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -136.2 84.05 2.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.539 1.136 . . . . 0.0 110.887 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -65.25 143.51 57.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.598 0.759 . . . . 0.0 111.664 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.0 p -145.49 162.59 37.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.691 1.596 . . . . 0.0 111.568 173.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -153.8 171.25 19.21 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.177 1.791 . . . . 0.0 111.414 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.55 -148.73 5.06 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.801 1.667 . . . . 0.0 112.19 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp 68.81 9.98 7.66 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.979 2.112 . . . . 0.0 114.826 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -139.47 86.43 14.23 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 125.861 1.664 . . . . 0.0 112.041 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.92 98.22 1.17 Allowed 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.744 2.963 . . . . 0.0 112.402 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -75.71 -27.57 58.26 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.659 1.183 . . . . 0.0 114.001 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.43 -169.51 34.43 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.825 1.202 . . . . 0.0 113.414 -173.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -67.6 1.89 2.15 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -50.44 -45.02 55.66 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.413 1.885 . . . . 0.0 113.623 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -66.84 -39.75 87.71 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.663 0.785 . . . . 0.0 112.864 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.402 ' H ' HD12 ' A' ' 19' ' ' ILE . 5.1 mp -65.89 -50.34 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.495 1.118 . . . . 0.0 109.604 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -54.6 -47.58 73.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.3 1.44 . . . . 0.0 112.524 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.17 81.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.999 1.32 . . . . 0.0 113.065 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.23 78.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.397 1.079 . . . . 0.0 111.064 177.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -61.44 -37.86 85.08 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.48 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.488 1.04 . . . . 0.0 112.299 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.2 t -60.33 -52.72 64.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.061 0.944 . . . . 0.0 112.289 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.94 -40.66 87.61 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.126 0.971 . . . . 0.0 113.166 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -61.51 -42.77 99.3 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.429 -0.794 . . . . 0.0 112.155 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.17 -29.31 63.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.796 0.838 . . . . 0.0 113.146 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -64.56 -59.0 4.8 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.875 0.87 . . . . 0.0 110.919 171.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.22 -29.73 70.0 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.231 1.412 . . . . 0.0 113.614 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.87 63.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.055 1.742 . . . . 0.0 114.617 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.96 11.86 64.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.468 1.032 . . . . 0.0 114.542 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -128.37 61.71 55.26 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 118.738 1.269 . . . . 0.0 112.281 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.68 -16.67 42.41 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.421 2.747 . . . . 0.0 113.923 -176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.016 1.326 . . . . 0.0 111.858 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -55.36 -48.94 73.49 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.875 -0.516 . . . . 0.0 111.583 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.57 96.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.005 0.922 . . . . 0.0 113.359 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -58.06 -32.07 67.67 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.384 -0.822 . . . . 0.0 113.164 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 mp -75.34 -1.82 25.51 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.654 1.582 . . . . 0.0 114.368 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.57 -58.96 6.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.888 1.222 . . . . 0.0 112.958 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.95 -22.25 66.97 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.23 -3.67 50.09 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.858 1.263 . . . . 0.0 113.315 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t 58.35 31.22 20.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.316 2.246 . . . . 0.0 113.699 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.7 16.23 22.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.219 1.807 . . . . 0.0 113.277 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.67 -56.7 33.11 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 120.762 -1.211 . . . . 0.0 113.716 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.72 84.02 1.49 Allowed 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.076 2.517 . . . . 0.0 112.662 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 pt -130.61 66.9 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.517 1.527 . . . . 0.0 112.024 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 49.53 60.62 3.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.285 1.434 . . . . 0.0 112.193 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.02 -36.73 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.839 1.256 . . . . 0.0 111.199 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.02 -34.94 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 112.75 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.98 -53.37 15.11 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.265 -0.897 . . . . 0.0 112.179 173.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.4 m -61.91 -30.72 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.067 0.848 . . . . 0.0 113.037 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -69.31 -53.86 17.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.436 0.694 . . . . 0.0 112.493 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -71.63 -10.11 59.27 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.41 -29.81 70.17 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.275 1.43 . . . . 0.0 113.546 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.9 m170 45.8 36.32 2.74 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 127.054 2.142 . . . . 0.0 114.508 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.5 -42.64 78.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.817 1.247 . . . . 0.0 113.442 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.68 159.76 31.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.545 1.138 . . . . 0.0 112.716 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.23 -55.41 25.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.236 1.414 . . . . 0.0 112.844 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -83.63 90.78 7.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.034 1.334 . . . . 0.0 113.245 -171.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -58.89 -22.98 60.51 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -67.37 -16.7 64.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.35 -19.89 60.29 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.718 1.207 . . . . 0.0 113.242 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.84 -33.19 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.747 1.219 . . . . 0.0 112.398 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -55.57 -63.12 3.44 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.767 1.227 . . . . 0.0 112.413 171.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.29 -28.04 40.23 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.693 2.262 . . . . 0.0 113.634 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.6 tp -53.52 -58.44 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.163 1.347 . . . . 0.0 110.786 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.91 -47.26 85.61 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.996 0.518 . . . . 0.0 112.043 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -56.4 -59.05 5.53 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -61.02 -39.31 89.28 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.129 0.877 . . . . 0.0 112.89 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -58.46 -54.86 42.27 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -56.03 -40.51 73.55 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.495 1.118 . . . . 0.0 113.893 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.3 m -54.26 -54.79 35.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.776 1.231 . . . . 0.0 112.198 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.15 -25.67 61.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.92 -31.42 68.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -52.05 -42.83 63.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.935 1.294 . . . . 0.0 112.395 173.197 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -84.23 -37.95 21.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.177 0.991 . . . . 0.0 112.789 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.08 -33.0 74.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.3 m -65.72 -33.24 75.42 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.4 ttt -72.21 123.01 22.04 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.398 1.479 . . . . 0.0 110.709 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? . . . . . 0 C--O 1.251 1.177 0 C-N-CA 124.952 1.301 . . . . 0.0 112.034 -179.455 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -99.12 143.57 29.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.45 1.1 . . . . 0.0 112.68 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -158.93 162.3 36.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.478 1.911 . . . . 0.0 111.419 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -136.75 72.88 1.43 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.502 1.521 . . . . 0.0 110.832 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -138.81 158.3 44.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.709 1.604 . . . . 0.0 111.729 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -71.56 116.29 11.73 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.916 1.286 . . . . 0.0 111.494 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -109.82 -17.64 13.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.903 1.281 . . . . 0.0 113.816 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.2 p -124.91 157.82 35.06 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.621 1.968 . . . . 0.0 111.107 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.7 p -156.06 170.66 21.67 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.424 1.49 . . . . 0.0 111.596 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.34 177.14 48.35 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.247 0.927 . . . . 0.0 113.61 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.43 16.63 2.95 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.91 1.684 . . . . 0.0 113.93 -174.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.15 84.1 37.31 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 125.542 1.537 . . . . 0.0 111.789 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.1 -12.94 28.45 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 122.978 2.452 . . . . 0.0 113.94 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -55.38 -41.27 72.41 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.23 1.412 . . . . 0.0 113.233 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.17 -27.1 9.59 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.802 1.191 . . . . 0.0 114.606 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.0 m -74.67 26.89 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.384 2.273 . . . . 0.0 115.346 -172.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.53 -24.6 65.49 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -168.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -24.85 55.23 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.781 -1.199 . . . . 0.0 113.393 173.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.81 -29.16 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.928 0.891 . . . . 0.0 111.159 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.37 -45.2 84.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 171.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.12 87.73 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.967 0.907 . . . . 0.0 112.109 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.57 -51.7 68.8 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.472 1.109 . . . . 0.0 112.004 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.78 -47.97 78.94 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.24 -48.48 80.27 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.728 0.695 . . . . 0.0 112.167 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -58.27 -53.0 63.22 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.406 1.082 . . . . 0.0 111.99 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.76 -45.07 95.47 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.737 1.215 . . . . 0.0 113.118 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -62.24 -45.11 94.77 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.107 0.963 . . . . 0.0 112.294 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.61 -42.11 78.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.886 0.766 . . . . 0.0 111.81 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -62.99 -53.36 55.2 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.066 0.946 . . . . 0.0 112.391 169.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.51 68.95 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.7 -7.41 44.44 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.387 1.875 . . . . 0.0 114.36 174.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.91 58.15 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.295 1.426 . . . . 0.0 114.708 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -126.98 60.97 44.6 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 118.859 1.33 . . . . 0.0 112.821 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.77 -14.93 47.03 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.397 2.731 . . . . 0.0 113.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -51.07 -41.29 59.83 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.394 1.078 . . . . 0.0 112.755 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -68.35 -51.65 42.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.393 0.677 . . . . 0.0 111.025 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.97 63.86 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.658 1.183 . . . . 0.0 113.123 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -65.08 -20.93 66.72 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -84.13 -0.55 52.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.075 1.35 . . . . 0.0 114.179 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.63 -52.34 65.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.255 0.934 . . . . 0.0 112.182 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.52 -18.5 64.39 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.93 -2.61 58.71 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.011 1.324 . . . . 0.0 113.117 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.5 m 62.17 21.91 12.77 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 127.801 2.44 . . . . 0.0 115.208 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -90.21 13.73 14.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.47 -53.28 67.73 Favored Pre-proline 0 CA--C 1.552 1.043 0 O-C-N 120.479 -1.388 . . . . 0.0 114.594 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -76.35 80.02 2.83 Favored 'Trans proline' 0 CA--C 1.547 1.158 0 C-N-CA 123.615 2.877 . . . . 0.0 112.384 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 pt -129.99 55.61 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.858 1.663 . . . . 0.0 112.267 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 54.7 76.95 0.22 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.121 1.768 . . . . 0.0 112.068 -172.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -54.19 -39.09 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.927 0.891 . . . . 0.0 111.134 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.9 t -58.02 -44.03 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.464 1.106 . . . . 0.0 112.193 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.57 77.55 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.206 -0.934 . . . . 0.0 112.292 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.38 -33.28 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -75.92 -27.96 57.82 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.295 0.952 . . . . 0.0 113.489 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -65.85 -17.43 64.64 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.598 1.159 . . . . 0.0 113.815 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -74.74 44.09 0.21 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.229 2.212 . . . . 0.0 113.131 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -65.67 -6.97 12.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.426 2.691 . . . . 0.0 115.703 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -89.98 -10.88 43.37 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.619 1.168 . . . . 0.0 113.393 170.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -86.54 -31.14 21.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.11 1.364 . . . . 0.0 113.336 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.42 168.25 22.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.703 2.001 . . . . 0.0 112.188 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.98 131.44 49.67 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -174.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -29.93 46.52 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.323 1.449 . . . . 0.0 114.303 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.75 -23.37 52.98 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.702 1.201 . . . . 0.0 113.411 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.1 mt -83.7 -22.59 31.99 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.299 1.04 . . . . 0.0 112.801 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.1 -40.33 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.307 1.043 . . . . 0.0 112.145 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -56.64 -64.39 2.51 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 124.614 1.166 . . . . 0.0 113.269 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.32 -32.54 41.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.264 1.976 . . . . 0.0 113.175 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.3 tp -53.53 -56.45 16.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.939 1.245 . . . . 0.0 110.757 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -54.65 -51.18 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.775 0.83 . . . . 0.0 111.841 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -58.54 -49.76 76.25 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.217 1.007 . . . . 0.0 113.36 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -65.92 -42.85 89.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.729 0.812 . . . . 0.0 112.465 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.69 -51.98 66.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.767 0.712 . . . . 0.0 111.454 171.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -65.34 -8.98 20.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.143 1.777 . . . . 0.0 114.347 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.3 m -87.86 -59.22 2.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.588 1.155 . . . . 0.0 110.547 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.77 -31.66 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -59.91 -30.91 69.35 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.337 0.972 . . . . 0.0 112.794 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.78 -44.09 81.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.509 1.923 . . . . 0.0 111.77 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 35.3 t -73.42 -46.76 46.65 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.623 1.169 . . . . 0.0 111.735 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.13 -32.94 68.62 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.4 m -66.76 -21.94 66.05 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.9 ttp -83.69 97.43 9.11 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.434 1.094 . . . . 0.0 110.375 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.262 1.825 . . . . 0.0 113.146 -176.604 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtp . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -89.47 -21.52 22.94 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.323 -1.486 . . . . 0.0 114.487 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -126.19 165.79 18.26 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.884 1.674 . . . . 0.0 110.698 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -129.55 160.18 34.02 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.157 1.383 . . . . 0.0 111.256 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -126.05 121.54 33.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.668 1.587 . . . . 0.0 110.001 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -62.03 142.42 57.53 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.009 0.524 . . . . 0.0 111.985 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -145.55 138.01 25.77 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.344 1.458 . . . . 0.0 110.872 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.5 t -160.98 139.19 9.69 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.009 1.323 . . . . 0.0 110.921 172.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t -88.81 118.26 28.38 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.556 1.142 . . . . 0.0 111.002 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.34 39.57 30.75 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.193 0.901 . . . . 0.0 115.128 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tt -134.0 83.2 2.02 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.544 1.538 . . . . 0.0 110.557 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.473 HG11 ' CD1' ' A' ' 19' ' ' ILE . 3.8 p -168.58 84.07 0.71 Allowed Pre-proline 0 N--CA 1.482 1.142 0 C-N-CA 126.643 1.977 . . . . 0.0 111.419 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.75 -34.67 5.2 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.208 1.939 . . . . 0.0 112.961 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -153.17 148.36 26.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.082 2.153 . . . . 0.0 109.649 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.7 56.0 1.94 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.229 0.919 . . . . 0.0 113.587 174.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -68.34 24.08 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 128.147 2.579 . . . . 0.0 115.401 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -59.14 -35.37 73.38 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.317 1.447 . . . . 0.0 113.774 -170.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -70.62 -42.95 70.25 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.376 -0.827 . . . . 0.0 111.375 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 12' ' ' VAL . 87.5 mt -65.08 -33.23 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.928 1.291 . . . . 0.0 111.427 -177.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.48 -43.62 65.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.635 1.107 . . . . 0.0 112.362 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.44 -43.85 65.92 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.04 -49.13 77.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.782 0.833 . . . . 0.0 111.813 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -56.26 -52.17 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.613 1.565 . . . . 0.0 111.629 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.32 68.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -70.55 -52.09 24.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 112.703 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.09 -40.89 97.4 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.662 1.185 . . . . 0.0 113.056 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -58.03 -43.53 86.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.135 1.374 . . . . 0.0 112.191 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.89 -44.61 86.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.653 0.781 . . . . 0.0 112.411 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -61.62 -50.17 73.65 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.348 1.059 . . . . 0.0 111.887 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.68 72.03 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.58 62.81 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.103 1.761 . . . . 0.0 114.392 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.0 2.72 28.32 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.998 1.285 . . . . 0.0 115.47 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -123.78 63.72 29.72 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 119.097 1.449 . . . . 0.0 112.273 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.12 -16.55 52.51 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.54 2.826 . . . . 0.0 113.733 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -50.74 -42.82 57.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.867 1.267 . . . . 0.0 112.53 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.99 -45.36 61.27 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.477 0.58 . . . . 0.0 111.616 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.02 70.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.993 0.917 . . . . 0.0 112.435 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -61.89 -19.05 62.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -84.75 -1.46 56.31 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.537 1.135 . . . . 0.0 113.852 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.27 -60.38 3.83 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.447 1.022 . . . . 0.0 112.379 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.82 -25.46 66.45 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.713 0.805 . . . . 0.0 112.908 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.03 -6.42 49.31 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.642 1.577 . . . . 0.0 113.755 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 t 61.9 40.2 12.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -125.74 25.87 6.8 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.786 1.634 . . . . 0.0 112.934 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -52.4 73.42 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.518 1.127 . . . . 0.0 113.975 167.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.57 84.41 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.882 2.388 . . . . 0.0 111.928 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 pt -132.51 79.79 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.617 1.567 . . . . 0.0 111.165 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m120 51.2 64.12 1.97 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.474 1.51 . . . . 0.0 112.304 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.83 -27.78 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.087 -1.008 . . . . 0.0 111.917 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t -67.39 -36.31 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 120.684 -1.26 . . . . 0.0 112.433 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.66 -45.55 74.95 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.921 0.888 . . . . 0.0 112.327 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.1 m -61.24 -21.73 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -66.55 -24.93 66.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.1 1.36 . . . . 0.0 113.387 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -95.29 5.06 52.73 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.819 1.647 . . . . 0.0 113.658 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -72.61 79.0 1.08 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.537 1.135 . . . . 0.0 111.113 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.3 m80 34.15 79.52 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.866 2.867 . . . . 0.0 114.323 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -66.34 84.41 0.1 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.574 1.55 . . . . 0.0 113.42 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -82.53 -0.35 46.22 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.24 1.816 . . . . 0.0 114.517 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 178.89 4.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.26 2.224 . . . . 0.0 111.375 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -58.08 143.5 43.41 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.395 1.078 . . . . 0.0 112.174 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -60.94 -20.88 62.85 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.0 -20.23 62.23 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.723 1.209 . . . . 0.0 113.688 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 tp -71.01 -26.91 63.33 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.397 1.079 . . . . 0.0 112.902 170.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.58 -29.03 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.153 0.981 . . . . 0.0 112.31 -176.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 -64.24 1.79 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.454 1.102 . . . . 0.0 112.498 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -65.36 -31.06 53.08 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 122.753 2.302 . . . . 0.0 113.516 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.3 -24.8 66.68 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.656 1.116 . . . . 0.0 113.281 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -87.38 -53.62 4.73 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.009 -1.057 . . . . 0.0 111.428 166.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -59.81 -57.15 14.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.288 1.835 . . . . 0.0 113.286 -171.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -61.25 -37.18 82.17 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.155 1.382 . . . . 0.0 112.976 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.65 -51.36 68.8 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.956 1.302 . . . . 0.0 110.04 173.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -64.47 -27.95 69.33 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -58.77 -55.16 38.71 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.006 -1.059 . . . . 0.0 111.229 170.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.16 -29.89 68.88 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -52.84 -36.88 59.43 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.321 0.964 . . . . 0.0 113.153 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -57.21 -41.23 79.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.0 1.32 . . . . 0.0 112.276 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.11 -23.51 21.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.356 1.462 . . . . 0.0 113.609 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.15 -19.07 65.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.752 1.221 . . . . 0.0 113.886 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.4 p 45.2 41.95 6.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.371 2.268 . . . . 0.0 114.985 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.2 mmt -124.3 157.29 35.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.737 2.015 . . . . 0.0 111.847 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.314 1.846 . . . . 0.0 112.926 -176.637 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.659 0.266 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -119.66 164.36 16.0 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.467 1.507 . . . . 0.0 111.137 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -126.2 158.72 34.89 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.667 1.587 . . . . 0.0 110.447 172.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -124.94 126.55 45.68 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.945 1.298 . . . . 0.0 110.336 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -71.88 166.59 21.79 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 121.53 0.681 . . . . 0.0 111.393 172.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -142.56 162.78 34.57 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.042 1.337 . . . . 0.0 111.071 171.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -72.35 161.2 31.16 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.634 0.774 . . . . 0.0 112.156 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.7 m -76.48 76.66 3.2 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.818 1.247 . . . . 0.0 111.755 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -67.38 162.78 22.22 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.733 1.613 . . . . 0.0 113.089 174.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.61 153.97 23.68 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.242 0.925 . . . . 0.0 112.172 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.95 42.47 0.95 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.003 0.921 . . . . 0.0 112.635 -173.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 p -132.79 88.02 39.09 Favored Pre-proline 0 N--CA 1.479 0.982 0 C-N-CA 125.887 1.675 . . . . 0.0 111.534 -175.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -73.39 157.29 49.7 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.824 2.35 . . . . 0.0 111.995 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -77.09 167.75 21.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.773 1.229 . . . . 0.0 112.415 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.48 -171.58 49.27 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.736 1.16 . . . . 0.0 113.84 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.1 m -65.93 -0.75 2.47 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.006 1.723 . . . . 0.0 115.163 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -54.67 -34.14 61.8 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.147 1.379 . . . . 0.0 113.893 -174.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.1 -20.51 60.93 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.1 mt -73.38 -37.42 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.663 1.185 . . . . 0.0 110.791 -177.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.51 -52.29 65.29 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.434 0.693 . . . . 0.0 111.125 171.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.35 86.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.163 0.985 . . . . 0.0 112.679 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -55.24 36.47 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.934 1.293 . . . . 0.0 111.805 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.88 -43.4 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.174 0.989 . . . . 0.0 111.975 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.31 43.03 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -68.71 -24.02 64.43 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.48 -39.07 39.39 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.134 1.373 . . . . 0.0 112.374 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -65.83 -46.76 77.36 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.231 -0.918 . . . . 0.0 112.433 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.23 -45.44 79.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.999 0.919 . . . . 0.0 112.946 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -66.8 -39.72 87.83 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 174.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.92 77.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.301 1.04 . . . . 0.0 112.927 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.36 86.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.117 1.767 . . . . 0.0 111.954 175.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 135.42 8.59 1.73 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.747 1.165 . . . . 0.0 115.018 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -124.89 64.27 42.42 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.952 1.301 . . . . 0.0 111.671 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.89 -21.14 64.46 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.294 2.663 . . . . 0.0 113.184 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -51.95 -44.2 63.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.772 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -62.88 -49.62 74.12 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.666 0.666 . . . . 0.0 111.366 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.06 -44.54 74.85 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.698 0.799 . . . . 0.0 112.886 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -62.11 -28.61 69.75 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.77 -3.56 26.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.516 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.15 -49.36 72.42 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.151 1.341 . . . . 0.0 112.936 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.54 -28.57 68.65 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.599 -0.688 . . . . 0.0 112.768 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.85 -6.64 56.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.524 1.53 . . . . 0.0 113.564 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t 52.09 55.97 8.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.178 2.191 . . . . 0.0 113.353 -172.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -121.67 15.47 11.06 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.726 1.611 . . . . 0.0 113.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.95 -52.81 70.94 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.52 78.01 3.44 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.124 2.55 . . . . 0.0 112.149 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 pt -126.09 73.69 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.024 1.73 . . . . 0.0 111.593 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 51.24 65.64 1.42 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.819 1.648 . . . . 0.0 112.572 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.2 mt -50.61 -46.74 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.609 1.164 . . . . 0.0 111.75 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.74 -32.6 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.482 1.113 . . . . 0.0 113.563 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.8 -53.01 11.23 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.221 -0.925 . . . . 0.0 111.471 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.98 -32.24 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -71.56 -17.17 62.32 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 173.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -92.5 6.15 48.2 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.562 1.545 . . . . 0.0 113.514 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -72.67 57.6 0.42 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.923 1.289 . . . . 0.0 113.001 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -64.25 -8.15 11.69 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.134 2.173 . . . . 0.0 113.39 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.54 -22.87 64.1 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 120.617 -1.302 . . . . 0.0 112.965 166.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -101.92 156.78 17.31 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.494 1.517 . . . . 0.0 112.081 168.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tp -79.11 -168.18 1.39 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.674 1.59 . . . . 0.0 112.103 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 59.22 24.71 13.18 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.359 1.863 . . . . 0.0 114.675 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -56.37 -24.72 46.29 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.55 -35.6 72.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.015 1.326 . . . . 0.0 112.608 172.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp -79.92 -17.9 51.87 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.904 1.682 . . . . 0.0 112.687 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.06 -19.09 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 125.054 1.341 . . . . 0.0 112.509 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -61.67 -60.38 10.53 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.718 -1.239 . . . . 0.0 113.55 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.73 -26.4 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.151 1.901 . . . . 0.0 113.299 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.68 -45.12 81.91 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.626 1.17 . . . . 0.0 112.841 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.5 p -63.57 -33.0 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.829 1.195 . . . . 0.0 113.271 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -61.67 -55.28 32.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.613 0.765 . . . . 0.0 110.582 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -58.15 -37.74 75.23 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.896 0.878 . . . . 0.0 113.248 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.68 -51.42 69.85 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.387 0.675 . . . . 0.0 111.65 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.87 -25.42 68.28 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -59.78 -55.58 32.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.136 -0.978 . . . . 0.0 112.077 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.42 -23.8 63.75 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -54.64 -31.05 56.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.305 0.957 . . . . 0.0 113.007 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -50.76 -52.82 37.08 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.701 1.2 . . . . 0.0 111.817 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.36 -36.04 22.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.384 1.074 . . . . 0.0 112.932 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.52 -26.48 64.55 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.2 t -66.04 -38.24 87.89 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.015 0.926 . . . . 0.0 112.424 173.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.2 ttt -72.26 147.21 46.66 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.756 1.222 . . . . 0.0 111.431 172.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 124.542 1.137 . . . . 0.0 113.79 176.774 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.065 0.459 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -146.03 162.15 38.53 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.438 1.895 . . . . 0.0 111.201 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -140.17 156.07 46.68 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.147 1.779 . . . . 0.0 111.492 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -142.81 145.08 32.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.543 1.537 . . . . 0.0 111.233 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -144.38 150.24 37.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.409 1.483 . . . . 0.0 111.909 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -144.78 162.24 37.25 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.552 1.941 . . . . 0.0 111.582 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -152.46 163.03 40.35 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.967 1.707 . . . . 0.0 111.865 174.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.5 m -144.95 97.18 2.98 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.736 1.614 . . . . 0.0 111.343 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 t -70.87 -61.91 1.59 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.564 1.146 . . . . 0.0 112.222 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.07 169.61 12.48 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 126.5 2.0 . . . . 0.0 113.433 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.38 105.78 3.06 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.265 1.426 . . . . 0.0 110.124 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t 48.2 79.95 0.32 Allowed Pre-proline 0 N--CA 1.486 1.326 0 C-N-CA 127.094 2.158 . . . . 0.0 112.364 -176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.51 -12.55 20.54 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.104 2.536 . . . . 0.0 114.345 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -82.73 166.18 19.31 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.88 1.272 . . . . 0.0 111.947 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.97 -79.56 0.78 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.387 1.47 . . . . 0.0 113.395 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 p -75.2 50.55 0.5 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.075 2.15 . . . . 0.0 114.067 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -55.59 -27.96 52.36 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.046 1.738 . . . . 0.0 115.568 -171.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.23 -35.41 59.02 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.048 -1.033 . . . . 0.0 113.05 175.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.57 -33.79 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.675 1.19 . . . . 0.0 110.363 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.6 -30.18 29.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.401 1.08 . . . . 0.0 113.105 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.95 85.93 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.497 1.044 . . . . 0.0 113.382 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -66.69 -50.69 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.14 0.976 . . . . 0.0 110.594 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -58.65 -40.58 83.87 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.963 0.905 . . . . 0.0 112.538 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.37 47.93 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.546 1.138 . . . . 0.0 112.487 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.64 -50.46 68.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.084 0.953 . . . . 0.0 111.683 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.0 -33.94 72.67 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -70.55 -44.31 67.71 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.026 -1.046 . . . . 0.0 112.407 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.67 -46.24 81.24 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.194 0.906 . . . . 0.0 112.194 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -44.56 94.35 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.115 0.966 . . . . 0.0 113.274 171.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.32 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.78 -9.45 57.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.5 6.53 41.18 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.264 1.411 . . . . 0.0 115.099 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -124.88 66.15 48.44 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.042 1.421 . . . . 0.0 112.357 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.15 -22.02 47.73 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.358 2.705 . . . . 0.0 113.436 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -56.04 -45.24 79.25 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.492 1.117 . . . . 0.0 111.812 175.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -57.83 -52.8 63.96 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.457 0.571 . . . . 0.0 111.322 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.9 70.18 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.008 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -60.48 -35.34 75.67 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.56 -0.39 8.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.71 -53.35 58.47 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.618 1.099 . . . . 0.0 112.377 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.16 -21.72 63.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.517 0.727 . . . . 0.0 112.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -78.2 -5.68 52.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 113.435 169.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 m 61.68 29.43 18.12 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.003 2.121 . . . . 0.0 114.75 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -103.76 21.67 15.83 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.756 1.222 . . . . 0.0 113.856 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -54.04 33.3 Favored Pre-proline 0 CA--C 1.551 1.006 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 169.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -76.11 78.84 3.08 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.184 2.589 . . . . 0.0 112.196 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -131.68 48.16 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.021 1.728 . . . . 0.0 112.444 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 58.0 84.81 0.1 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.382 1.873 . . . . 0.0 112.559 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.29 -34.79 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.038 0.935 . . . . 0.0 111.694 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.48 -30.15 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.808 1.243 . . . . 0.0 112.342 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.75 -56.86 4.35 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.482 -0.761 . . . . 0.0 111.756 170.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 m -60.45 -34.89 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -171.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -69.8 -15.6 63.14 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -117.86 10.6 13.25 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.021 2.128 . . . . 0.0 113.494 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -70.06 72.37 0.42 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.901 1.28 . . . . 0.0 112.553 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 41.28 46.79 2.84 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 128.747 2.819 . . . . 0.0 114.41 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.07 -173.67 4.7 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.536 1.534 . . . . 0.0 112.662 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -61.32 150.99 33.3 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.179 1.392 . . . . 0.0 112.052 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.47 -28.04 68.93 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -70.5 98.07 1.4 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.321 1.448 . . . . 0.0 112.684 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.84 -4.49 3.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.272 1.429 . . . . 0.0 113.919 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.81 -31.45 71.68 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.785 1.234 . . . . 0.0 113.508 172.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.33 -27.02 52.66 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.658 0.783 . . . . 0.0 112.647 172.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.65 -35.54 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 112.061 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.08 -62.55 2.7 Favored Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.0 -40.2 28.55 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.595 2.197 . . . . 0.0 112.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 tt -54.86 -48.98 72.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.278 1.031 . . . . 0.0 111.783 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.65 3.56 2.4 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.871 1.668 . . . . 0.0 114.335 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.08 -47.92 3.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.34 1.456 . . . . 0.0 111.287 168.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -60.39 -39.42 87.25 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.292 1.037 . . . . 0.0 112.707 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.79 -46.41 68.78 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.774 -0.579 . . . . 0.0 112.108 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -70.95 -2.31 14.8 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -103.31 -40.8 6.25 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.802 -1.187 . . . . 0.0 112.606 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.45 -37.59 65.76 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.135 -0.978 . . . . 0.0 113.112 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -58.23 -36.46 73.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.409 1.004 . . . . 0.0 113.278 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -62.39 -43.91 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.889 2.076 . . . . 0.0 111.471 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.1 t -69.71 -38.72 77.02 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.525 1.13 . . . . 0.0 112.749 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.12 -27.56 69.47 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 t -70.22 -47.49 61.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.14 0.976 . . . . 0.0 112.62 174.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.1 ptm -79.61 -170.38 2.33 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.86 2.064 . . . . 0.0 113.11 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.774 2.03 . . . . 0.0 110.931 170.25 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -141.41 147.36 37.84 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.563 1.545 . . . . 0.0 110.684 171.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.1 10.38 0.41 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 126.487 1.915 . . . . 0.0 115.363 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -69.96 -26.38 64.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.451 1.5 . . . . 0.0 113.577 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -120.48 159.31 25.42 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.93 1.692 . . . . 0.0 111.006 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -145.19 -42.89 0.23 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.461 1.105 . . . . 0.0 112.913 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -142.16 169.11 18.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.278 1.431 . . . . 0.0 111.634 174.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -127.94 80.26 1.95 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.426 1.49 . . . . 0.0 112.424 -170.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -82.84 167.42 18.09 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.683 1.193 . . . . 0.0 112.796 171.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.57 102.14 0.24 Allowed Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.754 1.168 . . . . 0.0 113.038 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.8 67.32 1.38 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.551 1.541 . . . . 0.0 110.865 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -153.22 83.26 4.63 Favored Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 124.661 1.184 . . . . 0.0 112.231 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -76.51 88.8 1.33 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.987 3.124 . . . . 0.0 112.45 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -91.93 88.41 6.59 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.649 1.58 . . . . 0.0 110.709 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.0 -160.49 54.07 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 123.586 0.612 . . . . 0.0 112.933 -174.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 m -65.15 5.35 0.37 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -174.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -55.9 -32.9 64.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.214 1.406 . . . . 0.0 114.137 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.93 -36.1 81.49 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.175 -0.953 . . . . 0.0 113.066 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -66.38 -40.15 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 118.932 0.787 . . . . 0.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.03 -41.5 71.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.65 0.659 . . . . 0.0 112.126 174.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.75 46.24 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.986 0.914 . . . . 0.0 113.438 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.27 -45.69 87.42 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.738 1.215 . . . . 0.0 111.75 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -54.06 -45.78 71.77 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.727 1.211 . . . . 0.0 112.006 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.11 67.06 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.148 0.885 . . . . 0.0 112.961 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -62.09 -43.23 99.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.64 -43.3 94.13 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.681 0.793 . . . . 0.0 112.282 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.68 -41.47 99.12 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.26 1.424 . . . . 0.0 112.551 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.76 -41.35 77.44 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.553 1.141 . . . . 0.0 113.116 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -61.0 -52.81 63.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.751 1.22 . . . . 0.0 111.375 172.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.94 75.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.242 1.017 . . . . 0.0 113.672 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.52 -8.23 49.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.13 1.772 . . . . 0.0 114.1 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.29 15.6 62.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.584 1.088 . . . . 0.0 114.713 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -126.74 61.28 44.47 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.05 1.34 . . . . 0.0 112.342 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.93 -19.63 39.89 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.245 2.63 . . . . 0.0 113.369 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -57.31 -46.27 83.36 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.095 0.958 . . . . 0.0 111.637 175.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -58.45 -41.48 85.23 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.748 0.704 . . . . 0.0 112.135 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.84 -36.24 74.23 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.552 1.069 . . . . 0.0 112.999 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -67.02 -29.24 69.0 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.72 -18.5 65.37 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.327 0.967 . . . . 0.0 113.37 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.25 -44.89 93.89 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.689 1.131 . . . . 0.0 112.402 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.63 -14.43 62.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.679 1.192 . . . . 0.0 113.417 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.37 7.07 31.01 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.131 1.772 . . . . 0.0 112.609 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . 0.256 84.3 p 49.89 23.56 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.961 2.904 . . . . 0.0 115.883 -172.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -83.6 6.41 20.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.472 1.909 . . . . 0.0 114.276 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -52.52 60.95 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.75 81.57 2.64 Favored 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 123.179 2.586 . . . . 0.0 112.441 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 pt -128.24 65.05 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.963 1.705 . . . . 0.0 112.037 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 51.16 71.78 0.41 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.969 1.708 . . . . 0.0 112.476 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.3 mt -52.41 -42.61 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.296 1.038 . . . . 0.0 111.648 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t -58.48 -42.19 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.474 1.11 . . . . 0.0 111.789 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.45 -52.28 54.23 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.398 -0.814 . . . . 0.0 112.244 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 m -67.24 -29.11 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -80.01 -32.31 39.65 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -81.6 11.21 4.88 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.2 1.0 . . . . 0.0 113.144 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.96 -44.3 97.03 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.813 1.645 . . . . 0.0 114.085 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.1 p80 46.14 25.17 0.32 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 128.732 2.813 . . . . 0.0 118.129 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -68.08 -21.16 64.99 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 120.064 -1.648 . . . . 0.0 114.414 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -132.74 176.17 8.69 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.283 1.433 . . . . 0.0 113.131 -174.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 59' ' ' LEU . 5.0 mp -68.62 -175.92 0.73 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.622 1.969 . . . . 0.0 112.265 174.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 64.24 23.28 13.07 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.35 1.86 . . . . 0.0 114.103 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -19.07 11.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.46 1.504 . . . . 0.0 114.87 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -67.59 -22.19 65.38 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.971 1.708 . . . . 0.0 113.977 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mt -81.99 -19.21 40.98 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.446 1.098 . . . . 0.0 112.902 167.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.18 -14.5 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 124.425 1.09 . . . . 0.0 112.279 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.46 -64.69 2.11 Favored Pre-proline 0 CA--C 1.55 0.947 0 O-C-N 120.671 -1.268 . . . . 0.0 112.749 162.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.66 -17.61 57.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.975 2.45 . . . . 0.0 114.224 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.3 tp -51.68 -42.88 62.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.292 1.037 . . . . 0.0 111.72 167.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.77 -41.61 74.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.216 1.006 . . . . 0.0 112.473 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.1 mmt-85 -63.26 -52.14 63.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.381 1.472 . . . . 0.0 111.383 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -62.56 -42.56 99.62 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.907 0.883 . . . . 0.0 112.842 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.76 -48.48 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.151 0.58 . . . . 0.0 112.012 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.56 -31.65 72.88 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.6 m -58.73 -50.63 73.21 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.078 0.951 . . . . 0.0 111.289 175.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.14 -24.78 61.51 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -56.91 -35.69 69.31 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.721 1.146 . . . . 0.0 112.573 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -53.7 -49.65 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.372 1.069 . . . . 0.0 111.577 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.73 -40.22 66.27 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.036 1.334 . . . . 0.0 112.815 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.02 75.66 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.084 0.954 . . . . 0.0 113.159 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 m -72.56 -9.74 58.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.47 101.98 7.6 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.645 1.111 . . . . 0.0 111.376 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt . . . . . 0 C--O 1.251 1.168 0 C-N-CA 127.866 2.466 . . . . 0.0 114.714 175.027 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -96.82 100.09 11.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.143 1.377 . . . . 0.0 111.423 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -144.39 159.29 42.97 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.121 1.368 . . . . 0.0 111.894 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -76.84 121.44 23.38 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.612 1.165 . . . . 0.0 111.943 177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -141.68 171.58 13.86 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.84 1.656 . . . . 0.0 111.821 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.6 m170 47.46 44.45 16.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.385 1.874 . . . . 0.0 114.254 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -99.33 -45.04 6.0 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.252 1.421 . . . . 0.0 113.463 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m 48.22 27.79 1.39 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 127.238 2.215 . . . . 0.0 115.823 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 p -68.82 164.25 22.36 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.312 1.845 . . . . 0.0 113.706 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.62 132.53 2.81 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.453 1.501 . . . . 0.0 112.164 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.09 36.62 0.76 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.273 1.429 . . . . 0.0 113.084 -171.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.64 86.98 54.03 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 126.134 1.774 . . . . 0.0 111.707 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -73.87 177.77 7.69 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 123.581 2.854 . . . . 0.0 112.212 172.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -125.18 134.31 52.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.956 1.702 . . . . 0.0 111.288 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.44 -40.82 1.89 Allowed Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.674 1.607 . . . . 0.0 114.605 173.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.7 p -74.11 25.08 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.259 2.224 . . . . 0.0 115.319 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -55.65 -36.69 67.33 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.871 1.668 . . . . 0.0 114.677 -168.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.98 -19.71 58.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 175.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.15 -30.63 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.456 1.503 . . . . 0.0 110.733 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -29.57 58.54 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.365 -0.834 . . . . 0.0 112.444 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -47.76 74.18 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.81 -49.15 77.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.294 1.038 . . . . 0.0 110.951 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -55.18 -49.21 72.47 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.397 0.679 . . . . 0.0 112.185 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.51 73.19 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.918 0.887 . . . . 0.0 113.037 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.0 m -56.15 -49.49 73.79 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.386 0.674 . . . . 0.0 112.112 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.61 -43.04 98.03 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.386 1.074 . . . . 0.0 113.022 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.82 -45.23 90.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.835 1.254 . . . . 0.0 112.357 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.02 -51.9 66.13 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.199 1.0 . . . . 0.0 112.123 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -62.72 -42.97 99.92 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.14 82.81 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.89 -7.45 45.76 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.149 1.78 . . . . 0.0 113.964 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.39 11.63 55.49 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.095 1.331 . . . . 0.0 114.736 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -124.5 59.48 20.54 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.303 1.441 . . . . 0.0 112.614 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.5 -20.18 48.01 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.287 2.658 . . . . 0.0 113.386 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -45.39 64.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.544 1.538 . . . . 0.0 112.101 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -62.17 -53.16 59.28 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.769 174.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.93 69.62 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 113.345 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -63.33 -20.23 65.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -88.54 -0.29 57.08 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.505 1.522 . . . . 0.0 114.251 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -60.64 -53.38 58.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.668 1.122 . . . . 0.0 112.339 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.76 -17.38 64.03 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -84.43 -5.11 59.25 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.13 1.372 . . . . 0.0 113.005 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 m 61.4 16.73 7.72 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 128.315 2.646 . . . . 0.0 115.272 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -88.34 20.65 3.19 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.45 1.5 . . . . 0.0 114.045 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.54 -57.66 21.25 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.53 79.39 3.34 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 122.993 2.462 . . . . 0.0 112.06 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 pt -123.78 61.86 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.855 1.662 . . . . 0.0 111.646 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.69 74.22 0.36 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.244 1.817 . . . . 0.0 111.845 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -53.59 -39.17 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.659 1.184 . . . . 0.0 111.515 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -61.46 -38.41 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.059 1.344 . . . . 0.0 112.293 175.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.04 -51.22 22.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.769 0.827 . . . . 0.0 112.085 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -61.33 -32.48 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -175.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -76.92 -34.17 57.69 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -86.01 0.36 53.53 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.433 1.493 . . . . 0.0 113.964 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -64.3 -2.57 2.24 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.893 1.677 . . . . 0.0 114.459 173.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.2 p80 49.65 32.34 4.99 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.754 2.422 . . . . 0.0 114.872 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -111.91 -19.01 12.53 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.04 1.736 . . . . 0.0 113.606 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -72.71 155.76 39.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.104 0.961 . . . . 0.0 112.697 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 mp -84.59 -64.38 1.17 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.116 1.366 . . . . 0.0 111.248 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -84.74 102.93 13.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.601 1.56 . . . . 0.0 112.458 -172.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -36.22 83.03 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.0 -22.96 64.05 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.97 -16.51 63.2 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.965 1.306 . . . . 0.0 113.295 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -66.59 -39.37 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.752 1.221 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.0 -59.22 11.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.23 -30.19 31.32 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.149 1.899 . . . . 0.0 113.11 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.09 -51.38 68.11 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.697 1.135 . . . . 0.0 111.389 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -53.74 -43.71 69.34 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.324 0.65 . . . . 0.0 112.69 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -61.53 -55.31 32.39 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.741 0.816 . . . . 0.0 112.189 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -63.03 -30.21 71.42 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.71 -56.64 7.47 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.494 0.718 . . . . 0.0 111.397 167.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.54 -39.0 78.97 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 t -63.14 -30.64 71.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.312 0.96 . . . . 0.0 113.014 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -80.17 -24.8 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -55.76 -37.55 68.68 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.842 1.201 . . . . 0.0 112.23 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -53.59 -40.87 66.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.165 1.786 . . . . 0.0 112.869 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.4 m -93.16 -24.41 18.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.063 1.345 . . . . 0.0 113.524 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.52 86.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.614 1.166 . . . . 0.0 112.536 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.7 m 57.42 12.48 1.47 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.958 2.103 . . . . 0.0 116.126 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.8 tpt -67.74 -50.84 55.18 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.772 1.629 . . . . 0.0 113.447 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? . . . . . 0 C--O 1.254 1.342 0 C-N-CA 125.286 1.434 . . . . 0.0 113.393 -171.693 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ptp . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -148.31 167.33 25.46 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.049 1.34 . . . . 0.0 111.865 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -59.4 119.93 8.38 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.657 0.783 . . . . 0.0 110.395 169.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -78.01 -78.57 0.14 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.874 0.87 . . . . 0.0 110.754 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -143.74 155.93 44.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.182 1.393 . . . . 0.0 112.331 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -81.41 170.38 16.04 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.034 1.733 . . . . 0.0 112.162 171.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -67.97 -68.21 0.4 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.541 1.136 . . . . 0.0 112.486 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.1 p -155.39 153.09 29.88 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.81 1.644 . . . . 0.0 111.865 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -159.64 170.9 20.59 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.219 1.408 . . . . 0.0 112.114 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.76 54.86 33.37 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 126.547 2.023 . . . . 0.0 116.086 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 mt -134.35 70.55 1.45 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.307 1.443 . . . . 0.0 112.035 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 p -154.05 88.21 3.53 Favored Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 125.122 1.369 . . . . 0.0 111.715 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.72 146.93 39.13 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 122.67 2.247 . . . . 0.0 111.633 172.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -142.29 -10.44 0.85 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 115.367 1.618 . . . . 0.0 115.367 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.56 0.25 84.43 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.036 1.303 . . . . 0.0 115.702 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.1 m -76.51 40.59 0.23 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.545 1.938 . . . . 0.0 113.723 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.83 -22.85 39.66 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.52 1.928 . . . . 0.0 115.814 -166.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -103.73 -41.14 6.02 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.696 1.198 . . . . 0.0 112.489 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 19' ' ' ILE . 5.1 mp -65.9 -27.71 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.415 1.486 . . . . 0.0 111.665 -178.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.57 -27.76 58.61 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.557 1.143 . . . . 0.0 113.773 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.84 58.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.009 0.822 . . . . 0.0 112.11 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -55.77 -52.85 62.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.569 1.547 . . . . 0.0 110.805 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.58 -40.44 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -55.33 36.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.117 1.326 . . . . 0.0 112.036 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.0 m -56.21 -50.87 70.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.206 0.603 . . . . 0.0 112.26 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.99 -42.22 98.91 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.689 0.796 . . . . 0.0 112.959 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.542 0.737 . . . . 0.0 112.622 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.39 -38.63 74.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.962 0.801 . . . . 0.0 112.398 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -65.62 -48.67 71.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.579 0.751 . . . . 0.0 111.28 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.13 76.73 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.548 1.139 . . . . 0.0 113.433 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -7.67 45.08 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.9 1.68 . . . . 0.0 114.336 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 13.08 67.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.878 1.228 . . . . 0.0 114.719 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -125.93 59.83 30.89 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.315 1.446 . . . . 0.0 112.635 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.09 -18.59 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.243 2.628 . . . . 0.0 113.488 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -54.81 -45.41 74.39 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.645 1.178 . . . . 0.0 111.885 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -62.02 -44.09 97.45 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.995 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.04 84.92 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.577 1.08 . . . . 0.0 112.712 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -61.04 -20.9 63.08 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.2 mt -68.37 -15.73 63.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.552 1.069 . . . . 0.0 113.542 173.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.14 -56.76 9.79 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.862 1.21 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 -24.17 65.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.162 0.985 . . . . 0.0 112.857 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -83.59 -4.15 58.32 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.889 1.275 . . . . 0.0 113.738 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.5 m 62.11 37.64 14.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.017 2.127 . . . . 0.0 114.643 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -122.9 21.4 9.9 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.683 1.593 . . . . 0.0 114.336 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.8 -50.55 87.37 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 120.449 -1.407 . . . . 0.0 114.436 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -77.55 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.159 2.573 . . . . 0.0 112.362 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.6 pt -129.65 50.79 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.024 1.73 . . . . 0.0 112.148 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 51.93 75.77 0.2 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.25 1.82 . . . . 0.0 112.705 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.17 -31.89 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.223 1.009 . . . . 0.0 111.367 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -60.59 -34.01 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.883 1.273 . . . . 0.0 112.251 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.1 -54.4 26.08 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.01 -1.056 . . . . 0.0 112.059 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 m -71.45 -0.72 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -175.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -107.07 -6.68 17.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.427 1.491 . . . . 0.0 114.775 168.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -98.21 -1.61 41.65 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.318 1.047 . . . . 0.0 112.736 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -74.69 39.83 0.13 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.159 2.584 . . . . 0.0 114.853 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -67.82 79.43 0.2 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.277 1.431 . . . . 0.0 112.15 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -148.02 101.28 3.27 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.812 2.445 . . . . 0.0 109.333 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 52.72 35.88 19.63 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.852 1.661 . . . . 0.0 114.339 -172.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 tt -137.54 131.99 32.54 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 110.615 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -55.73 101.48 0.05 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.015 2.126 . . . . 0.0 113.061 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -57.14 -31.66 65.57 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.346 1.058 . . . . 0.0 113.687 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.13 -27.92 69.41 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.753 1.221 . . . . 0.0 113.607 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 tp -78.74 -22.39 46.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.4 1.48 . . . . 0.0 112.425 174.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.38 -27.2 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.793 1.237 . . . . 0.0 112.799 -176.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.11 -60.7 8.82 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.178 0.991 . . . . 0.0 112.583 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -66.2 -28.23 48.21 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.288 1.992 . . . . 0.0 113.764 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -54.19 -53.71 49.69 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.1 1.318 . . . . 0.0 111.043 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.02 -49.45 75.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 122.817 0.447 . . . . 0.0 112.038 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -55.18 -58.43 7.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.499 0.719 . . . . 0.0 112.401 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 -58.75 -38.14 77.78 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.732 0.813 . . . . 0.0 112.962 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.11 -51.89 61.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.402 0.681 . . . . 0.0 111.549 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -56.93 -38.14 72.49 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.829 1.252 . . . . 0.0 113.761 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -51.78 -57.67 8.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.449 1.5 . . . . 0.0 111.889 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.73 -27.97 61.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.032 0.933 . . . . 0.0 113.105 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -56.97 -36.82 70.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -49.45 -48.78 47.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.765 1.226 . . . . 0.0 112.17 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 48.4 t -69.83 -54.17 14.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.7 1.2 . . . . 0.0 111.893 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.76 -27.66 66.72 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 t -70.16 -20.67 63.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.393 1.477 . . . . 0.0 113.848 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.2 tpt -79.17 97.13 6.08 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.321 1.048 . . . . 0.0 111.33 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.681 1.592 . . . . 0.0 112.277 174.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -140.96 147.88 39.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.509 1.523 . . . . 0.0 111.067 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -73.12 -61.94 1.64 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.197 0.999 . . . . 0.0 111.761 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -143.75 167.02 23.27 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.538 1.935 . . . . 0.0 111.138 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -81.76 0.65 38.18 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.472 1.509 . . . . 0.0 114.28 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.25 84.76 0.25 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.215 1.806 . . . . 0.0 112.848 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -114.9 -69.97 0.83 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.265 1.826 . . . . 0.0 111.158 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -93.09 149.8 20.97 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.782 1.233 . . . . 0.0 112.037 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -144.86 20.34 1.63 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.028 1.331 . . . . 0.0 114.474 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.7 91.89 2.11 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.408 1.48 . . . . 0.0 113.031 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.23 52.16 1.28 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.363 1.465 . . . . 0.0 113.348 -173.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -147.47 89.42 5.46 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.552 1.141 . . . . 0.0 111.864 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.15 -18.0 10.2 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 123.136 2.558 . . . . 0.0 113.994 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -71.4 163.76 27.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.961 1.304 . . . . 0.0 112.62 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.86 107.6 1.37 Allowed Glycine 0 CA--C 1.533 1.207 0 C-N-CA 125.627 1.584 . . . . 0.0 113.024 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -70.39 28.95 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 128.552 2.741 . . . . 0.0 116.567 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -54.39 -42.14 70.07 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.426 1.89 . . . . 0.0 114.514 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -79.08 -28.4 43.1 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.444 -0.785 . . . . 0.0 113.06 175.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.06 -31.01 33.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.948 0.899 . . . . 0.0 111.092 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.85 -42.56 65.33 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.339 1.427 . . . . 0.0 112.755 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.8 -48.29 66.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.662 0.785 . . . . 0.0 112.78 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.07 -35.97 81.97 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.81 -43.03 99.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.345 1.058 . . . . 0.0 111.525 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.0 -59.19 5.25 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.469 1.031 . . . . 0.0 112.465 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.6 p -62.32 -41.13 98.3 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.039 0.836 . . . . 0.0 113.126 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.29 -38.92 93.04 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.917 -1.114 . . . . 0.0 112.995 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.64 -51.64 64.3 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.069 0.948 . . . . 0.0 112.246 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.95 -36.05 78.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.778 1.172 . . . . 0.0 112.327 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.46 -53.23 60.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.685 1.194 . . . . 0.0 111.627 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.72 78.99 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -26.38 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.51 1.524 . . . . 0.0 113.904 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.59 6.5 9.48 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.746 1.165 . . . . 0.0 115.483 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -125.5 64.27 47.54 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 119.053 1.426 . . . . 0.0 111.948 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -66.38 -23.97 50.59 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.362 2.708 . . . . 0.0 113.339 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -52.5 -44.64 65.82 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.476 1.511 . . . . 0.0 112.897 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.91 -49.0 64.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.91 -47.83 70.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.233 1.013 . . . . 0.0 113.216 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.7 -25.58 66.51 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.35 -0.98 24.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 114.244 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -60.2 -60.78 3.28 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.721 1.146 . . . . 0.0 112.761 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.19 -23.37 63.91 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.67 -8.0 51.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.162 1.385 . . . . 0.0 113.379 168.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.01 35.38 13.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.816 2.046 . . . . 0.0 113.594 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -121.78 30.82 6.5 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.867 1.667 . . . . 0.0 112.747 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -61.87 -53.82 56.64 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 165.247 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.97 78.47 3.15 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 123.351 2.701 . . . . 0.0 112.475 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.0 pt -131.67 74.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.708 1.603 . . . . 0.0 112.158 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m120 53.82 70.33 0.61 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.809 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.29 -22.9 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.129 1.372 . . . . 0.0 112.604 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t -80.85 -30.37 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.031 1.332 . . . . 0.0 112.587 174.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.55 -43.18 73.46 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.888 -1.133 . . . . 0.0 112.236 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.12 -17.81 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -67.42 -27.86 67.42 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.558 1.143 . . . . 0.0 113.628 173.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -92.91 10.29 31.82 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.103 1.761 . . . . 0.0 112.95 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -72.04 69.33 0.73 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.473 1.509 . . . . 0.0 112.715 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 58.4 m80 43.55 48.7 6.36 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.726 2.41 . . . . 0.0 114.142 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -63.48 98.78 0.18 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.031 2.132 . . . . 0.0 112.251 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -86.78 78.23 9.13 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.168 0.987 . . . . 0.0 111.512 -170.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 tt 57.41 56.72 4.85 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.16 1.784 . . . . 0.0 111.077 -170.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -128.08 19.47 6.48 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.21 1.804 . . . . 0.0 112.981 -173.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -58.08 -23.87 56.36 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.086 1.354 . . . . 0.0 114.16 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.92 -36.93 85.02 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.001 0.92 . . . . 0.0 112.816 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.5 tp -79.37 -18.84 51.55 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.741 1.616 . . . . 0.0 112.897 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.7 t -64.05 -35.09 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 126.273 1.829 . . . . 0.0 112.971 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.22 -63.04 4.66 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.966 0.907 . . . . 0.0 113.223 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -67.65 -25.28 40.53 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 122.369 2.046 . . . . 0.0 113.737 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.39 -42.12 81.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.078 0.854 . . . . 0.0 111.441 168.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.39 -51.18 66.89 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.37 -0.831 . . . . 0.0 112.049 170.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -52.31 -60.91 2.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.206 1.002 . . . . 0.0 113.005 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.69 -37.88 88.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' A' ' 45' ' ' PHE . 79.3 mt -60.53 -49.2 78.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.221 0.608 . . . . 0.0 111.46 170.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.4 -37.9 82.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.601 1.16 . . . . 0.0 113.932 176.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -55.12 -52.5 63.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.362 0.983 . . . . 0.0 111.575 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 45' ' ' PHE . 69.6 mt -73.38 -26.65 61.09 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -40.73 71.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.06 . . . . 0.0 112.677 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -51.45 -48.28 62.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.156 1.382 . . . . 0.0 112.283 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.9 m -79.1 -38.03 37.23 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.543 1.137 . . . . 0.0 113.01 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.05 -46.46 89.06 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.603 1.161 . . . . 0.0 112.876 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 t 44.44 49.33 8.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.026 2.13 . . . . 0.0 114.267 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.4 ttt -129.19 45.87 2.73 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.517 1.527 . . . . 0.0 112.278 -172.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.126 1.37 . . . . 0.0 111.599 175.59 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 119.889 -0.1 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -126.61 -22.37 3.94 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 177.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -124.95 -65.93 1.0 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.795 1.238 . . . . 0.0 111.533 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 50.1 29.58 3.65 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.285 1.834 . . . . 0.0 113.877 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -68.91 148.48 50.14 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.322 1.049 . . . . 0.0 111.86 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -154.63 107.27 2.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.199 1.0 . . . . 0.0 111.615 175.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -145.15 113.27 6.5 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.113 1.365 . . . . 0.0 109.754 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.6 p -62.86 150.51 41.6 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.78 -0.575 . . . . 0.0 112.104 174.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.1 p -158.84 174.27 15.26 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.094 1.358 . . . . 0.0 112.143 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.83 25.74 3.2 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.29 1.424 . . . . 0.0 115.016 -176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tt -132.3 65.57 1.58 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.2 1.4 . . . . 0.0 111.108 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -157.37 88.72 2.54 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 125.538 1.535 . . . . 0.0 111.167 171.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.91 157.78 57.21 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.402 2.068 . . . . 0.0 111.417 170.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.18 173.9 12.95 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.429 1.492 . . . . 0.0 113.43 -177.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.59 -72.6 0.25 Allowed Glycine 0 N--CA 1.469 0.888 0 C-N-CA 126.004 1.764 . . . . 0.0 112.825 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -73.96 41.85 0.13 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.974 2.11 . . . . 0.0 114.292 -176.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -54.23 -34.41 60.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.738 2.015 . . . . 0.0 115.024 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -72.06 -39.36 69.08 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.364 -0.835 . . . . 0.0 112.559 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.6 mp -74.53 -38.24 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.422 1.089 . . . . 0.0 110.155 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -54.4 -39.81 67.63 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.055 0.942 . . . . 0.0 112.059 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.58 95.25 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.43 -54.92 41.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.353 1.061 . . . . 0.0 110.954 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -59.56 -42.24 91.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.365 1.066 . . . . 0.0 112.737 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.74 -53.76 54.0 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.674 1.19 . . . . 0.0 112.658 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.353 1.061 . . . . 0.0 112.251 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.73 -38.74 76.97 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -61.15 -43.8 98.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.874 0.87 . . . . 0.0 112.116 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.56 -41.32 69.66 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.32 1.048 . . . . 0.0 113.444 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.22 -54.12 49.56 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.976 1.31 . . . . 0.0 111.074 173.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.88 73.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.582 1.153 . . . . 0.0 113.936 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.07 -11.84 61.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.861 1.664 . . . . 0.0 114.195 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.29 13.51 55.74 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.932 1.254 . . . . 0.0 114.602 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.96 58.69 30.89 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.969 1.308 . . . . 0.0 112.683 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.31 -19.69 55.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.137 2.558 . . . . 0.0 113.262 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -53.9 -48.63 69.93 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.454 1.102 . . . . 0.0 112.369 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -65.28 -39.24 92.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.654 -0.654 . . . . 0.0 111.461 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.82 94.1 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.88 0.764 . . . . 0.0 112.226 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.53 -33.33 71.26 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.36 -10.6 17.41 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -63.31 -48.1 79.47 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.351 1.432 . . . . 0.0 111.708 171.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -69.21 -24.88 64.09 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.073 0.949 . . . . 0.0 112.645 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.03 -6.06 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.88 1.272 . . . . 0.0 113.347 171.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 m 59.63 39.05 21.73 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.719 2.008 . . . . 0.0 114.02 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -121.54 24.46 9.83 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.741 1.616 . . . . 0.0 114.062 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.32 -47.41 99.08 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 120.333 -1.479 . . . . 0.0 114.641 165.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.76 77.09 4.21 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.971 2.447 . . . . 0.0 112.572 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 pt -130.72 51.77 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.744 1.618 . . . . 0.0 112.667 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 58.99 78.18 0.27 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.866 1.666 . . . . 0.0 112.435 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -51.85 -48.29 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.173 1.389 . . . . 0.0 111.56 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.94 -29.03 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.028 0.931 . . . . 0.0 113.503 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.72 -58.42 3.36 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.259 0.936 . . . . 0.0 111.814 170.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -63.05 -35.48 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -69.46 -24.67 63.83 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -101.76 11.13 39.27 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.568 1.947 . . . . 0.0 112.709 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -69.8 71.76 0.36 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.916 1.687 . . . . 0.0 113.105 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 39.28 55.77 2.19 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 128.857 2.863 . . . . 0.0 113.845 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -99.7 -169.27 1.72 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.061 1.744 . . . . 0.0 111.857 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -58.79 143.93 45.64 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.701 -1.249 . . . . 0.0 112.446 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.4 tp -66.09 -24.25 66.67 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.748 1.219 . . . . 0.0 113.063 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.17 91.59 0.52 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.57 1.548 . . . . 0.0 112.168 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -58.12 -16.3 12.71 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.704 1.601 . . . . 0.0 113.806 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -56.53 -32.95 65.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.544 1.537 . . . . 0.0 113.791 171.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.33 -27.6 38.33 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.981 0.913 . . . . 0.0 111.934 171.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.8 -29.15 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.113 1.365 . . . . 0.0 112.217 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.14 -57.55 16.04 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.388 1.475 . . . . 0.0 113.924 174.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.78 -35.34 36.71 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.745 1.63 . . . . 0.0 112.23 173.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.67 -21.98 66.66 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 p -91.13 -46.63 7.99 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.686 1.585 . . . . 0.0 112.332 167.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -59.46 -50.4 74.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.498 1.119 . . . . 0.0 113.22 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.01 -41.88 99.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.201 1.0 . . . . 0.0 112.367 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.96 -37.9 82.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.939 0.896 . . . . 0.0 112.134 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.11 -34.36 73.38 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.01 0.924 . . . . 0.0 113.108 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.2 m -64.75 -53.56 45.12 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.56 -0.712 . . . . 0.0 111.695 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.84 -26.5 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.27 -44.12 79.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.923 . . . . 0.0 112.118 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -49.76 76.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.854 0.862 . . . . 0.0 111.574 174.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.48 -31.82 72.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.019 1.328 . . . . 0.0 113.583 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.03 -35.63 42.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.301 1.441 . . . . 0.0 113.228 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 t -63.45 -53.35 53.56 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.278 1.431 . . . . 0.0 112.123 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 mtp -79.67 154.12 28.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.264 0.626 . . . . 0.0 111.207 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.895 1.678 . . . . 0.0 113.163 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -119.99 122.62 41.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.857 1.263 . . . . 0.0 110.699 178.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -79.37 122.87 26.91 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.063 0.945 . . . . 0.0 111.483 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -127.4 -52.56 1.38 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.906 1.282 . . . . 0.0 112.979 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 p80 45.98 25.26 0.3 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.938 2.495 . . . . 0.0 116.332 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -103.97 66.85 0.85 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.205 1.802 . . . . 0.0 111.098 -173.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -148.68 148.03 29.59 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.371 1.468 . . . . 0.0 111.906 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 p -87.95 166.25 14.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.679 1.592 . . . . 0.0 112.254 171.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -77.31 -63.08 1.45 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.03 0.932 . . . . 0.0 112.094 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.12 170.28 39.35 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.971 1.272 . . . . 0.0 113.417 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.92 109.0 3.72 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.069 1.348 . . . . 0.0 110.54 -174.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 t 41.13 78.97 0.35 Allowed Pre-proline 0 N--CA 1.488 1.428 0 C-N-CA 128.568 2.747 . . . . 0.0 113.457 -173.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -72.63 163.3 38.89 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 123.701 2.934 . . . . 0.0 113.116 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -76.68 -49.48 16.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.819 1.248 . . . . 0.0 112.987 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.69 -163.11 38.7 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.86 1.695 . . . . 0.0 114.185 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 m -62.76 -5.11 2.47 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -52.85 -40.13 63.13 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.125 1.37 . . . . 0.0 113.282 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -68.9 -37.66 79.12 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.39 0.996 . . . . 0.0 113.295 176.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.31 -54.13 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.403 1.481 . . . . 0.0 109.798 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -64.98 -35.77 82.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.167 0.587 . . . . 0.0 112.451 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.4 78.87 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -55.18 -54.93 37.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.657 1.183 . . . . 0.0 110.786 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.98 -44.62 94.36 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.496 0.719 . . . . 0.0 112.664 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.3 -55.46 34.53 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.729 1.15 . . . . 0.0 113.015 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.5 t -59.67 -48.71 80.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.328 0.651 . . . . 0.0 112.218 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.58 -35.91 82.2 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -62.02 -48.93 78.09 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.441 -0.787 . . . . 0.0 111.95 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -37.08 79.76 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.353 0.978 . . . . 0.0 112.822 177.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.27 -47.82 84.25 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.418 1.487 . . . . 0.0 111.784 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.11 76.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.467 1.107 . . . . 0.0 113.853 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.5 -13.29 60.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.994 1.718 . . . . 0.0 114.489 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.49 15.14 55.91 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.64 1.114 . . . . 0.0 114.423 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -124.52 59.69 21.55 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.937 1.295 . . . . 0.0 112.239 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -68.93 -15.39 40.13 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.0 2.466 . . . . 0.0 113.264 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -52.33 -53.74 40.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.687 1.195 . . . . 0.0 112.186 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -66.66 -38.25 86.45 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.557 -0.714 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.79 90.42 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.768 0.713 . . . . 0.0 112.504 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -62.79 -31.37 72.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 113.613 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.35 -10.41 24.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.277 1.031 . . . . 0.0 113.616 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.68 -50.41 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.018 1.281 . . . . 0.0 112.097 170.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.19 -29.54 69.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.338 1.055 . . . . 0.0 112.627 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.9 -2.7 52.13 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.616 1.167 . . . . 0.0 113.549 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 t 54.1 56.14 7.39 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.307 2.243 . . . . 0.0 113.386 -173.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -127.93 17.06 6.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.658 1.983 . . . . 0.0 113.051 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.93 99.52 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 120.529 -1.357 . . . . 0.0 114.478 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.98 79.84 3.19 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.002 2.468 . . . . 0.0 112.583 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 pt -131.33 45.82 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 126.09 1.756 . . . . 0.0 112.672 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 62.07 84.21 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.816 2.046 . . . . 0.0 112.246 -175.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.6 -42.38 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 t -56.52 -31.81 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.506 1.523 . . . . 0.0 112.737 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.49 34.32 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.789 0.836 . . . . 0.0 112.647 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.48 -29.18 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.589 1.086 . . . . 0.0 113.254 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -5.05 58.17 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -73.67 -12.6 60.78 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.001 0.92 . . . . 0.0 113.463 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.29 60.45 0.6 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.361 1.865 . . . . 0.0 112.931 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -74.49 32.61 0.09 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.222 2.209 . . . . 0.0 113.868 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.9 -162.97 0.31 Allowed 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 127.702 2.401 . . . . 0.0 112.48 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -62.19 -9.26 7.23 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.313 1.845 . . . . 0.0 115.02 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.84 169.44 6.56 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.156 1.382 . . . . 0.0 112.418 174.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -74.92 78.04 2.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.972 1.309 . . . . 0.0 112.854 -170.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -55.17 -34.25 63.66 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.275 1.43 . . . . 0.0 113.719 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.39 -29.74 69.15 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.287 1.035 . . . . 0.0 113.254 174.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -20.46 49.94 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.863 1.665 . . . . 0.0 113.05 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -75.44 -27.6 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.686 1.195 . . . . 0.0 112.645 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.26 -59.59 12.89 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 121.014 -1.053 . . . . 0.0 113.564 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.01 -27.95 42.04 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.521 2.147 . . . . 0.0 113.592 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.32 -47.04 79.52 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.169 0.895 . . . . 0.0 111.2 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 t -55.18 -44.41 75.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.344 0.657 . . . . 0.0 112.249 176.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -57.92 -59.91 4.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.448 1.099 . . . . 0.0 112.038 174.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.7 -34.64 78.77 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -173.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.5 -40.72 93.38 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.075 0.852 . . . . 0.0 112.65 172.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.89 -37.5 82.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.329 1.052 . . . . 0.0 112.561 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 m -57.86 -57.06 14.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.852 1.261 . . . . 0.0 112.247 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.62 -27.85 65.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.11 -46.31 68.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.82 0.848 . . . . 0.0 111.835 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.91 -50.87 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.528 0.731 . . . . 0.0 112.463 176.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.12 -42.64 99.44 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.338 0.655 . . . . 0.0 112.307 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.09 -48.12 77.4 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.552 1.141 . . . . 0.0 113.3 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.8 m -69.43 -31.55 69.96 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.54 1.136 . . . . 0.0 113.73 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 46.7 ttm -66.26 139.11 58.05 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.847 0.859 . . . . 0.0 111.81 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.256 1.822 . . . . 0.0 113.313 -178.438 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 mtm . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 118.942 -0.552 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -65.84 143.36 57.52 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.519 1.054 . . . . 0.0 111.342 172.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -128.32 52.53 1.89 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.825 1.65 . . . . 0.0 111.179 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -64.41 -33.29 75.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.111 0.964 . . . . 0.0 112.968 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -91.25 78.96 5.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.954 1.702 . . . . 0.0 110.196 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -132.79 138.19 47.05 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.269 1.428 . . . . 0.0 111.329 -177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -148.93 160.0 43.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.211 1.404 . . . . 0.0 112.441 -174.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -143.99 152.66 41.34 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.05 1.74 . . . . 0.0 111.288 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 m -156.46 166.3 33.82 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.72 2.008 . . . . 0.0 111.188 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.89 58.59 10.46 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.81 1.195 . . . . 0.0 114.948 168.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.64 102.81 5.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.459 1.504 . . . . 0.0 110.024 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.9 t 43.46 79.35 0.34 Allowed Pre-proline 0 N--CA 1.485 1.279 0 C-N-CA 127.505 2.322 . . . . 0.0 112.704 -170.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -67.64 158.3 57.8 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.517 2.145 . . . . 0.0 112.078 177.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -134.98 -59.59 0.79 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.592 1.557 . . . . 0.0 110.991 -177.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -136.39 -179.7 16.97 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 126.107 1.813 . . . . 0.0 112.407 173.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -64.97 2.06 0.8 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -173.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.16 -50.72 48.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.237 1.815 . . . . 0.0 114.408 -172.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.8 -26.95 33.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.284 -0.885 . . . . 0.0 113.218 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mp -72.78 -43.68 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.788 1.235 . . . . 0.0 111.678 -174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.59 -35.06 73.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.394 -0.816 . . . . 0.0 111.891 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.88 -38.11 54.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.967 0.907 . . . . 0.0 113.329 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -55.84 -50.49 70.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.231 1.412 . . . . 0.0 111.758 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.87 -38.47 78.86 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.25 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.714 0.805 . . . . 0.0 113.078 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.43 -30.31 71.35 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.52 -51.07 25.59 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.271 0.941 . . . . 0.0 112.358 172.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -58.53 -40.55 83.25 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.516 -0.74 . . . . 0.0 112.627 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.42 -31.55 65.98 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -72.51 -48.06 43.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.631 0.772 . . . . 0.0 111.105 174.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.29 72.54 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.69 1.196 . . . . 0.0 113.233 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.25 -11.49 59.44 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.627 1.571 . . . . 0.0 114.408 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.27 14.8 63.44 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.969 1.271 . . . . 0.0 114.513 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -124.31 58.16 15.68 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 112.527 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.33 -19.58 55.73 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.108 2.539 . . . . 0.0 113.42 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -54.73 -37.44 65.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -58.06 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.538 0.608 . . . . 0.0 110.702 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -44.79 64.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.236 1.014 . . . . 0.0 113.341 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -63.03 -23.03 67.26 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.37 -2.11 54.99 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.231 1.412 . . . . 0.0 114.066 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CD1' HD23 ' A' ' 74' ' ' LEU . 15.2 t80 -60.2 -51.57 69.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.65 1.114 . . . . 0.0 112.294 175.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.68 -25.3 67.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.349 1.06 . . . . 0.0 113.085 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -88.62 3.21 51.37 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.279 1.432 . . . . 0.0 113.143 174.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.4 m 55.17 31.95 17.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.871 2.068 . . . . 0.0 113.982 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -101.34 13.47 34.97 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.876 2.07 . . . . 0.0 113.25 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' CE2' HD22 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -57.03 -56.61 31.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 120.825 -1.172 . . . . 0.0 113.847 169.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.05 81.24 2.26 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.296 2.664 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 pt -125.04 76.39 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.028 1.731 . . . . 0.0 111.418 175.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.0 t30 50.15 52.01 15.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.508 1.523 . . . . 0.0 112.708 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.8 mt -52.88 -43.81 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.784 1.633 . . . . 0.0 111.536 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -59.73 -21.65 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.823 1.649 . . . . 0.0 114.302 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.01 -44.99 8.56 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.397 1.079 . . . . 0.0 112.893 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.63 -30.36 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 119.711 1.141 . . . . 0.0 112.818 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -65.2 -34.84 79.33 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.77 0.828 . . . . 0.0 112.737 170.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -66.96 -29.43 69.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.259 1.423 . . . . 0.0 112.169 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.51 66.23 0.69 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.826 1.65 . . . . 0.0 111.837 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 39.41 0.07 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.781 2.432 . . . . 0.0 114.27 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.58 43.73 0.19 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.731 2.412 . . . . 0.0 113.7 -174.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -124.48 172.11 9.44 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.969 2.107 . . . . 0.0 111.524 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.01 -32.36 73.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.861 0.864 . . . . 0.0 113.266 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -138.63 127.99 24.44 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.749 1.62 . . . . 0.0 111.654 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -62.83 -20.05 64.68 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -64.67 -15.86 61.95 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 174.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.5 -19.98 62.88 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.568 1.147 . . . . 0.0 112.892 171.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.21 -30.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.401 1.48 . . . . 0.0 112.835 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.77 -62.77 3.62 Favored Pre-proline 0 N--CA 1.475 0.788 0 CA-C-O 118.244 -0.884 . . . . 0.0 112.098 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -65.41 -31.61 51.54 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.425 2.084 . . . . 0.0 113.209 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.4 tp -51.31 -55.45 18.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.967 1.258 . . . . 0.0 111.067 170.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.6 t -63.37 -50.47 69.81 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.876 -0.515 . . . . 0.0 112.314 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -55.46 -50.72 69.12 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.562 1.545 . . . . 0.0 112.993 -175.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.65 -43.18 94.47 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.591 1.156 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.83 -48.82 80.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.595 0.758 . . . . 0.0 111.825 172.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.33 -39.29 86.55 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.355 1.462 . . . . 0.0 113.35 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.0 m -58.81 -44.76 90.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.226 1.01 . . . . 0.0 111.618 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 45' ' ' PHE . 8.7 mp -75.19 -31.14 60.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -54.65 -39.27 67.84 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.365 1.066 . . . . 0.0 112.551 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -50.4 -41.03 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.417 1.887 . . . . 0.0 113.047 172.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.3 t -88.0 -37.69 16.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.972 1.309 . . . . 0.0 112.667 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.62 98.41 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.296 1.438 . . . . 0.0 113.823 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.2 m 34.48 69.34 0.16 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.8 2.44 . . . . 0.0 114.514 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -177.18 1.3 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.964 1.706 . . . . 0.0 114.891 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.912 2.085 . . . . 0.0 111.359 170.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -128.6 102.71 6.72 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.247 -1.533 . . . . 0.0 111.909 -171.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -60.73 -49.62 76.77 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.801 1.24 . . . . 0.0 112.654 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -100.18 122.45 43.03 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.315 1.446 . . . . 0.0 111.075 175.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -126.63 -0.23 6.8 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.72 1.608 . . . . 0.0 113.54 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -74.56 176.62 6.71 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.376 1.47 . . . . 0.0 112.4 173.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -150.81 152.67 34.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.763 1.625 . . . . 0.0 112.13 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -161.38 158.45 26.87 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.278 1.431 . . . . 0.0 111.809 167.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 p -81.88 -14.75 55.79 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.418 1.487 . . . . 0.0 113.616 169.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.1 173.23 13.22 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.671 1.605 . . . . 0.0 114.42 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mt -144.94 120.03 10.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.578 1.951 . . . . 0.0 110.535 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 t 34.8 72.13 0.74 Allowed Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 128.502 2.721 . . . . 0.0 113.007 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.62 122.66 9.87 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.053 2.502 . . . . 0.0 111.913 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -136.17 152.35 50.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.106 1.762 . . . . 0.0 111.948 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.45 68.54 1.62 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.74 1.162 . . . . 0.0 112.311 -175.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.5 p 50.44 14.62 0.17 Allowed 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 128.835 2.854 . . . . 0.0 116.84 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.0 -37.02 78.48 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.57 1.548 . . . . 0.0 114.151 -172.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.96 -40.82 95.58 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.285 0.948 . . . . 0.0 112.305 173.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.35 -49.1 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.583 1.153 . . . . 0.0 109.542 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.33 -49.06 70.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.038 0.935 . . . . 0.0 112.196 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.08 83.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.73 0.812 . . . . 0.0 112.908 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -60.53 -54.34 46.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.501 1.52 . . . . 0.0 112.045 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.11 -30.8 71.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.845 0.858 . . . . 0.0 113.276 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.65 5.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.945 1.248 . . . . 0.0 112.427 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 m -57.31 -44.33 84.03 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.25 0.62 . . . . 0.0 112.556 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.07 -40.55 98.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -62.69 -45.07 94.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.717 0.807 . . . . 0.0 112.373 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.04 -45.88 71.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.228 0.922 . . . . 0.0 112.031 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -61.18 -53.27 59.02 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 111.96 173.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.61 74.2 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.693 1.197 . . . . 0.0 113.796 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.87 -11.99 61.06 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.034 1.734 . . . . 0.0 114.341 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.98 8.33 48.22 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.791 1.186 . . . . 0.0 115.332 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.36 65.21 57.96 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 119.1 1.45 . . . . 0.0 112.455 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.3 -17.54 54.25 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.189 2.593 . . . . 0.0 113.872 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.24 -36.97 53.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.665 1.186 . . . . 0.0 113.074 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -69.93 -53.8 16.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.357 0.663 . . . . 0.0 111.061 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.64 -44.45 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.371 1.068 . . . . 0.0 113.521 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -64.72 -14.83 60.17 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.75 3.7 55.14 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.432 1.493 . . . . 0.0 113.777 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.99 -58.42 8.51 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.591 1.087 . . . . 0.0 112.109 175.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.5 -25.96 64.31 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.404 0.682 . . . . 0.0 112.759 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.86 -5.39 48.19 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.55 1.14 . . . . 0.0 113.096 170.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 m 58.27 39.94 25.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.943 2.497 . . . . 0.0 114.907 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -116.87 29.6 7.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.905 1.282 . . . . 0.0 113.058 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.97 -54.47 56.14 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.432 1.093 . . . . 0.0 113.558 164.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.08 83.4 2.14 Favored 'Trans proline' 0 CA--C 1.546 1.098 0 C-N-CA 123.188 2.592 . . . . 0.0 112.628 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 pt -133.81 64.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.602 1.561 . . . . 0.0 112.642 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m120 48.82 79.75 0.07 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.845 1.658 . . . . 0.0 113.089 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.51 -36.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 121.091 -1.006 . . . . 0.0 111.561 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.4 -21.61 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.974 1.71 . . . . 0.0 113.14 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.5 -50.37 6.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.403 1.081 . . . . 0.0 112.212 171.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.7 m -63.98 -26.6 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.95 -15.2 63.54 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -119.19 23.93 11.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.407 2.283 . . . . 0.0 112.194 -172.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.78 34.9 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 128.152 2.581 . . . . 0.0 115.679 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 50.01 74.5 0.21 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 128.078 2.551 . . . . 0.0 113.021 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -134.37 -169.23 2.29 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.103 2.161 . . . . 0.0 111.255 -174.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -57.22 143.82 37.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.568 -1.333 . . . . 0.0 112.624 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.22 -10.1 59.2 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.982 1.313 . . . . 0.0 113.42 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.05 87.02 0.74 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.439 1.496 . . . . 0.0 112.707 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -55.88 -16.98 5.35 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.231 1.812 . . . . 0.0 114.486 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -58.76 -32.06 68.92 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.394 1.478 . . . . 0.0 113.421 170.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 tp -82.8 -26.18 32.0 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.588 1.155 . . . . 0.0 112.563 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.13 -32.83 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.676 1.19 . . . . 0.0 112.401 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -51.49 -63.14 2.2 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-O 118.13 -0.938 . . . . 0.0 113.089 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.15 -35.59 63.27 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.111 1.874 . . . . 0.0 112.73 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 63.0 tp -54.81 -55.19 32.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.231 1.012 . . . . 0.0 111.744 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.88 -42.8 99.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.456 0.702 . . . . 0.0 112.299 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -58.52 -56.24 24.64 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.011 1.325 . . . . 0.0 112.713 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -58.9 -42.21 89.04 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.359 0.981 . . . . 0.0 112.46 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.02 -55.64 32.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.599 1.159 . . . . 0.0 111.299 170.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.0 -35.31 74.76 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.0 m -59.59 -54.87 41.47 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.291 1.036 . . . . 0.0 111.268 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.3 -24.44 62.14 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -54.15 -33.58 58.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.401 1.001 . . . . 0.0 112.699 171.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.45 -50.22 70.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.965 0.906 . . . . 0.0 111.609 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.4 m -77.42 -38.56 49.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.781 0.832 . . . . 0.0 113.103 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.38 80.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.243 1.017 . . . . 0.0 113.543 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 t -73.33 -50.46 21.94 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.548 1.139 . . . . 0.0 112.132 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -178.7 3.82 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.142 1.377 . . . . 0.0 112.872 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? . . . . . 0 C--O 1.254 1.336 0 C-N-CA 127.475 2.31 . . . . 0.0 112.818 -178.742 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -130.19 114.99 16.38 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.323 1.449 . . . . 0.0 110.343 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -132.09 137.99 47.96 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.141 1.376 . . . . 0.0 111.448 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -140.47 120.14 13.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.96 1.704 . . . . 0.0 110.095 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -63.65 155.55 29.51 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.17 0.509 . . . . 0.0 112.265 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -149.52 150.86 32.95 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.164 1.386 . . . . 0.0 110.682 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -132.8 92.06 2.99 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.426 1.491 . . . . 0.0 110.738 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m -85.91 94.22 9.13 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.303 1.441 . . . . 0.0 111.627 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 t -70.62 140.58 51.66 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.299 -0.876 . . . . 0.0 111.908 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.55 118.75 0.68 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.418 1.485 . . . . 0.0 113.319 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.6 tp -144.47 100.68 3.57 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.94 1.296 . . . . 0.0 110.789 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 t 51.04 78.91 0.37 Allowed Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 127.319 2.248 . . . . 0.0 112.862 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.76 169.87 19.14 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.464 2.776 . . . . 0.0 112.759 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -133.75 130.45 38.09 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.735 1.614 . . . . 0.0 111.501 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.7 -53.71 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.478 1.99 . . . . 0.0 111.797 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 p -74.4 51.17 0.43 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.947 2.099 . . . . 0.0 114.198 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.88 -68.94 0.33 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.515 -1.365 . . . . 0.0 111.371 174.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.0 -34.85 77.31 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.386 -0.821 . . . . 0.0 112.925 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mp -62.97 -42.61 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 123.767 0.827 . . . . 0.0 110.876 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HB3' HG21 ' A' ' 73' ' ' THR . 26.5 mm-40 -58.81 -46.32 87.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.322 0.965 . . . . 0.0 112.741 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.25 87.33 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.623 0.647 . . . . 0.0 112.283 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -59.52 -56.21 24.8 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.373 1.469 . . . . 0.0 111.251 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.64 -38.1 83.69 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.377 1.071 . . . . 0.0 112.946 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -53.27 60.08 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 120.507 1.503 . . . . 0.0 111.832 174.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.98 -52.34 65.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.472 1.109 . . . . 0.0 112.044 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -69.95 -27.75 65.0 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -74.99 -42.03 58.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.865 -1.147 . . . . 0.0 112.231 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -56.58 -44.33 80.91 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.806 0.73 . . . . 0.0 112.311 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -61.99 -44.81 95.95 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -33.67 76.29 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.293 1.037 . . . . 0.0 113.313 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -7.06 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.042 1.737 . . . . 0.0 114.085 172.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.26 11.63 58.27 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.118 1.342 . . . . 0.0 114.46 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -125.93 59.85 31.01 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.049 1.34 . . . . 0.0 112.726 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -65.48 -21.15 60.64 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.214 2.609 . . . . 0.0 113.211 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -54.66 -40.45 69.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.914 1.286 . . . . 0.0 112.87 174.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.0 -50.64 65.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.623 0.647 . . . . 0.0 111.207 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.79 74.86 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.921 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -59.09 -28.46 66.52 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.78 0.42 34.85 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.162 1.385 . . . . 0.0 114.244 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -61.61 -61.93 2.17 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.544 1.066 . . . . 0.0 112.528 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.63 -22.16 64.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.48 -6.71 45.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.496 1.518 . . . . 0.0 113.578 169.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t 60.35 44.03 12.78 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.706 2.002 . . . . 0.0 112.977 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -122.78 16.27 10.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.262 1.825 . . . . 0.0 113.092 -173.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -56.15 38.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.01 83.4 1.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.89 2.393 . . . . 0.0 112.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.26 74.81 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.194 1.798 . . . . 0.0 110.859 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 m120 51.11 64.08 1.98 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.859 1.663 . . . . 0.0 112.049 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.11 -36.4 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.151 0.981 . . . . 0.0 111.902 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.39 -36.47 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.182 0.993 . . . . 0.0 112.372 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.47 71.84 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.479 -0.763 . . . . 0.0 111.944 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.4 m -62.59 -18.39 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -60.89 -34.24 74.34 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.832 0.853 . . . . 0.0 112.882 171.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -71.44 -16.92 62.4 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.445 1.098 . . . . 0.0 113.457 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -76.82 68.83 3.09 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.332 1.053 . . . . 0.0 110.61 169.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -71.67 66.57 0.53 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.342 1.857 . . . . 0.0 111.897 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.18 -25.53 64.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.755 1.222 . . . . 0.0 113.395 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -101.68 153.9 19.36 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.261 1.824 . . . . 0.0 111.196 172.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.35 -26.25 62.74 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.36 101.9 12.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.188 1.395 . . . . 0.0 111.562 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -59.55 -22.42 61.67 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.369 -0.832 . . . . 0.0 113.011 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.11 -15.12 20.77 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.946 1.298 . . . . 0.0 114.077 171.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 tp -70.7 -24.71 62.7 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.551 1.14 . . . . 0.0 112.987 170.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.81 -34.86 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.998 1.319 . . . . 0.0 112.419 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.78 -63.51 2.52 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.716 1.206 . . . . 0.0 112.366 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.62 -32.4 48.07 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.516 2.144 . . . . 0.0 113.397 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.5 tp -55.32 -52.5 63.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 120.166 1.348 . . . . 0.0 111.411 172.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.57 -53.09 60.93 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.603 0.761 . . . . 0.0 111.841 174.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -58.19 -55.07 39.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.601 1.56 . . . . 0.0 113.148 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -60.52 -39.11 86.62 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.243 0.929 . . . . 0.0 112.589 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.36 -52.17 65.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.552 0.741 . . . . 0.0 111.268 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -56.31 -42.79 78.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.565 1.146 . . . . 0.0 113.741 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 20' ' ' GLU . 68.0 m -61.65 -46.23 90.66 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.394 -0.817 . . . . 0.0 112.461 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.5 mt -72.28 -27.12 62.27 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.4 -34.34 72.33 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.449 1.022 . . . . 0.0 112.739 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -41.73 66.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.917 1.287 . . . . 0.0 112.482 171.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -87.99 -20.55 25.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.637 1.175 . . . . 0.0 113.863 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.48 -28.19 66.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.487 1.115 . . . . 0.0 113.556 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.3 m 54.81 25.21 6.39 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.483 1.913 . . . . 0.0 115.193 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.3 mmt -93.2 -20.32 20.58 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 C--O 1.254 1.333 0 C-N-CA 124.705 1.202 . . . . 0.0 111.626 172.501 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -150.48 105.4 3.32 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.909 1.284 . . . . 0.0 111.091 174.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -151.02 170.58 19.02 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.517 1.527 . . . . 0.0 111.84 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -135.59 132.15 36.77 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.694 1.598 . . . . 0.0 110.541 175.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -69.46 159.93 32.36 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.335 0.654 . . . . 0.0 112.112 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 50.05 34.47 8.3 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.496 1.918 . . . . 0.0 114.058 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -101.85 12.68 36.62 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.588 1.555 . . . . 0.0 113.288 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -75.21 64.11 1.41 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.213 1.405 . . . . 0.0 112.018 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.4 p -76.26 44.63 0.34 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.906 2.082 . . . . 0.0 112.387 172.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.26 -169.51 39.12 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.056 1.789 . . . . 0.0 112.552 -167.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 41.69 3.38 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.131 1.772 . . . . 0.0 112.503 -172.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -141.5 89.44 9.32 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 125.844 1.658 . . . . 0.0 111.46 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.84 165.36 32.44 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.523 2.148 . . . . 0.0 111.408 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -133.42 -64.78 0.71 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.572 1.149 . . . . 0.0 111.824 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.77 156.73 40.84 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 123.706 0.669 . . . . 0.0 112.38 170.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 p -84.17 19.7 1.77 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.285 1.834 . . . . 0.0 114.458 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -55.73 -35.95 66.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.997 1.319 . . . . 0.0 114.281 -171.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -78.89 -18.68 53.48 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 176.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.35 -26.89 34.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.085 0.954 . . . . 0.0 111.692 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.37 -49.42 64.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.909 0.884 . . . . 0.0 111.548 167.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.21 -37.34 66.47 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -54.51 -57.09 12.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.875 0.87 . . . . 0.0 111.205 171.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -62.59 -37.97 88.31 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.534 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -57.84 10.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.77 1.168 . . . . 0.0 112.655 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.9 -50.06 75.27 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.24 -47.82 83.94 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.281 1.032 . . . . 0.0 112.967 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -62.4 -41.01 98.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.963 0.905 . . . . 0.0 112.663 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.98 -34.96 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.905 0.775 . . . . 0.0 112.863 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -66.64 -49.35 66.52 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.445 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.83 73.95 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.765 1.226 . . . . 0.0 113.553 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.73 50.92 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.986 1.715 . . . . 0.0 114.095 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 12.2 67.63 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.145 1.355 . . . . 0.0 114.453 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -125.64 58.1 20.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.218 1.407 . . . . 0.0 112.919 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -65.17 -19.36 62.78 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.845 2.363 . . . . 0.0 113.2 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.18 -37.25 64.28 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.066 1.346 . . . . 0.0 113.452 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.46 -55.91 20.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.786 0.721 . . . . 0.0 110.74 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.87 77.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.773 0.829 . . . . 0.0 113.1 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.75 -29.58 69.48 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.03 2.17 24.85 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.708 1.603 . . . . 0.0 114.392 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -59.7 -57.16 14.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.499 1.12 . . . . 0.0 112.829 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.11 -20.71 64.07 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -74.97 -6.7 50.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.861 1.264 . . . . 0.0 113.26 169.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m 60.2 24.86 14.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.763 2.025 . . . . 0.0 114.016 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -94.94 11.56 31.4 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.761 1.624 . . . . 0.0 113.745 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.26 -51.69 79.77 Favored Pre-proline 0 CA--C 1.552 1.045 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 171.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.57 80.05 2.39 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 123.213 2.608 . . . . 0.0 112.367 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.18 62.98 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.986 1.714 . . . . 0.0 112.054 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.89 71.37 0.52 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.892 1.677 . . . . 0.0 112.005 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.4 mt -52.79 -42.74 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.331 1.052 . . . . 0.0 111.297 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.1 t -59.57 -31.32 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.268 1.427 . . . . 0.0 113.017 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.26 -56.89 4.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.975 0.91 . . . . 0.0 111.728 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 m -65.08 -33.08 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -174.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -62.55 -38.65 90.84 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.775 0.716 . . . . 0.0 111.966 176.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -75.74 -10.48 59.47 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.564 1.546 . . . . 0.0 113.493 -176.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.61 -34.04 73.53 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.697 -1.252 . . . . 0.0 114.027 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -86.33 14.79 6.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.243 1.417 . . . . 0.0 114.303 -175.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.91 -28.0 54.71 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -81.48 -20.28 40.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.833 1.253 . . . . 0.0 114.2 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.7 tp -90.41 -75.44 0.46 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.791 1.236 . . . . 0.0 111.109 -174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -147.03 97.58 2.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.363 1.465 . . . . 0.0 110.845 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -58.61 -33.97 70.62 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.283 -0.886 . . . . 0.0 112.825 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -66.84 -22.62 65.99 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.322 1.049 . . . . 0.0 113.69 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.4 tp -75.59 -18.85 59.6 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.508 1.123 . . . . 0.0 112.32 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.9 t -73.61 -32.91 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.489 1.516 . . . . 0.0 112.528 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.76 -62.4 4.66 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.215 1.006 . . . . 0.0 113.142 174.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.87 -34.18 49.9 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.366 2.044 . . . . 0.0 112.882 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.5 tp -54.13 -53.57 51.5 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.388 0.994 . . . . 0.0 111.043 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.62 -47.25 73.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.317 1.047 . . . . 0.0 112.037 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.28 -59.04 6.04 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.156 0.982 . . . . 0.0 113.451 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.89 -42.16 97.55 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.498 1.119 . . . . 0.0 112.512 -172.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.61 -45.73 92.86 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.511 0.596 . . . . 0.0 111.73 172.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.47 -8.54 34.27 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.7 m -86.93 -57.75 2.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.553 1.141 . . . . 0.0 110.779 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.34 -35.6 78.0 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -59.92 -29.23 68.23 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.288 0.949 . . . . 0.0 112.952 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -65.91 -25.57 67.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.658 2.383 . . . . 0.0 113.16 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.4 m -96.76 -34.29 11.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.341 1.457 . . . . 0.0 112.036 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.09 67.83 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.3 p -69.78 -27.71 65.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.549 1.14 . . . . 0.0 113.655 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 22.8 mmt -91.34 168.57 11.48 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.989 1.715 . . . . 0.0 111.695 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.962 1.705 . . . . 0.0 111.726 -179.044 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -133.31 99.07 4.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.194 1.398 . . . . 0.0 111.073 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -145.6 123.77 12.19 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.674 1.19 . . . . 0.0 110.419 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -132.67 150.79 52.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.904 1.282 . . . . 0.0 111.556 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -142.7 165.91 26.09 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.931 1.692 . . . . 0.0 112.084 177.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -133.52 92.2 2.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.142 1.777 . . . . 0.0 110.085 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -127.72 79.87 1.92 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.015 1.326 . . . . 0.0 110.697 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.0 p -140.66 96.47 3.03 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.854 1.662 . . . . 0.0 111.613 -173.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -148.53 167.89 24.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.33 1.452 . . . . 0.0 111.708 177.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.13 169.05 13.61 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.78 1.657 . . . . 0.0 112.851 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.4 tp -145.48 99.96 3.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.494 1.117 . . . . 0.0 110.906 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 t 47.22 74.65 0.77 Allowed Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 127.388 2.275 . . . . 0.0 112.515 -175.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.44 165.97 31.16 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.139 2.559 . . . . 0.0 112.859 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -100.61 -60.85 1.45 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.639 1.576 . . . . 0.0 112.689 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.13 1.02 40.79 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.369 1.462 . . . . 0.0 115.289 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 t -74.66 71.43 1.91 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.178 1.391 . . . . 0.0 112.377 -177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -97.24 -59.92 1.69 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.588 1.555 . . . . 0.0 109.726 173.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.29 -30.8 60.5 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.482 0.713 . . . . 0.0 112.911 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mp -68.03 -36.98 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.911 0.885 . . . . 0.0 111.327 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -52.99 -58.56 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.457 1.103 . . . . 0.0 111.673 169.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.13 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.004 0.922 . . . . 0.0 112.748 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -58.59 -54.08 51.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.566 1.546 . . . . 0.0 112.186 177.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.21 -31.74 71.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.33 -52.14 14.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.677 0.791 . . . . 0.0 112.965 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 -49.69 76.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.865 1.266 . . . . 0.0 112.02 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.29 -45.56 92.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.271 1.028 . . . . 0.0 112.305 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -63.61 -45.85 88.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.0 mt -56.51 -42.48 78.44 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.148 0.886 . . . . 0.0 112.164 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.5 -54.25 47.74 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.436 1.094 . . . . 0.0 112.016 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.1 70.49 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.4 -12.86 61.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.205 1.402 . . . . 0.0 113.958 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.39 7.07 40.76 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.416 1.484 . . . . 0.0 115.118 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -128.18 62.7 59.47 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.188 1.494 . . . . 0.0 112.997 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.05 -19.21 63.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.238 2.625 . . . . 0.0 113.597 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -54.29 -39.59 67.07 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.274 1.03 . . . . 0.0 112.92 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -65.31 -51.08 63.03 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.923 0.489 . . . . 0.0 110.848 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 -45.16 72.06 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.232 1.013 . . . . 0.0 113.265 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -61.61 -25.5 67.39 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.42 -0.24 25.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.01 1.324 . . . . 0.0 114.448 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -61.27 -54.29 45.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.64 1.109 . . . . 0.0 112.937 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.73 -24.22 66.2 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -81.94 -2.79 52.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.914 1.286 . . . . 0.0 113.006 171.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t 52.62 49.82 19.54 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.393 2.677 . . . . 0.0 113.908 -176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -122.53 26.79 8.16 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.179 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.44 -54.62 36.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.681 1.192 . . . . 0.0 114.041 166.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -77.75 78.36 3.57 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.122 2.548 . . . . 0.0 112.165 -176.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 pt -127.65 76.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.96 1.704 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 m120 50.46 64.63 1.73 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.58 1.552 . . . . 0.0 112.412 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.54 HD11 HD21 ' A' ' 75' ' ' ASN . 55.4 mt -49.59 -48.44 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.588 1.555 . . . . 0.0 111.469 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.03 -34.09 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.714 1.206 . . . . 0.0 113.354 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.28 -51.89 15.94 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.389 0.995 . . . . 0.0 111.886 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.47 -34.53 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -177.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -73.94 -30.96 62.82 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -81.39 3.0 25.99 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.206 1.402 . . . . 0.0 113.62 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.3 -21.54 59.85 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.698 1.199 . . . . 0.0 113.703 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 46.96 48.06 15.49 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.415 2.286 . . . . 0.0 113.546 170.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -130.99 97.68 4.38 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.913 1.685 . . . . 0.0 110.065 -172.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 64.62 19.16 11.73 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.508 1.923 . . . . 0.0 115.094 -174.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mp -110.53 169.83 8.49 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.078 1.751 . . . . 0.0 112.222 172.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -128.95 158.69 38.1 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.682 1.993 . . . . 0.0 110.76 172.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -58.57 -28.38 65.48 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -73.85 -24.61 59.78 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.259 1.424 . . . . 0.0 113.519 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt -83.24 -29.28 28.59 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.119 1.368 . . . . 0.0 112.601 171.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.63 -36.38 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.822 1.249 . . . . 0.0 112.652 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.93 -65.07 1.36 Allowed Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.813 1.245 . . . . 0.0 113.415 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -65.43 -34.3 43.97 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.313 2.009 . . . . 0.0 112.95 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.08 -51.81 62.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.258 1.39 . . . . 0.0 111.348 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.4 t -58.41 -53.5 57.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.673 0.789 . . . . 0.0 112.115 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.98 -48.57 81.16 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.8 mmt-85 -64.19 -38.59 91.6 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.12 0.873 . . . . 0.0 112.277 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.35 -49.69 75.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.738 0.699 . . . . 0.0 111.544 170.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -59.17 -28.9 67.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.294 1.038 . . . . 0.0 113.751 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.5 m -62.94 -55.75 23.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.563 1.145 . . . . 0.0 112.217 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.11 -25.81 66.39 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.382 -0.824 . . . . 0.0 113.132 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.54 HD21 HD11 ' A' ' 49' ' ' ILE . 88.2 m-20 -56.81 -27.64 60.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -51.62 -41.98 61.68 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.813 1.245 . . . . 0.0 111.985 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.3 t -90.7 -44.81 9.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.489 1.116 . . . . 0.0 112.398 175.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.23 -21.27 65.02 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -175.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.1 m -68.1 -9.41 46.1 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 43.8 ttm -128.27 93.74 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.803 2.041 . . . . 0.0 110.148 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? . . . . . 0 C--O 1.255 1.361 0 C-N-CA 126.246 1.819 . . . . 0.0 112.443 178.672 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.507 0.194 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -63.0 169.45 3.31 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.651 1.18 . . . . 0.0 112.552 172.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -57.63 122.28 12.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.971 0.908 . . . . 0.0 111.627 172.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -75.59 80.2 2.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.564 1.145 . . . . 0.0 111.22 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -57.91 118.11 5.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.319 1.448 . . . . 0.0 111.315 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -65.34 97.06 0.26 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.944 1.298 . . . . 0.0 112.046 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -76.18 98.92 4.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.104 1.361 . . . . 0.0 111.315 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.5 m -57.11 148.77 20.99 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.907 1.283 . . . . 0.0 112.78 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 t -61.51 128.99 38.98 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.846 0.858 . . . . 0.0 111.43 175.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.04 -17.01 3.21 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.183 1.373 . . . . 0.0 114.952 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt 51.37 47.51 24.7 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.377 1.871 . . . . 0.0 113.39 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 t 52.56 76.92 0.48 Allowed Pre-proline 0 N--CA 1.481 1.082 0 C-N-CA 127.108 2.163 . . . . 0.0 111.73 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -77.14 -16.76 15.52 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.144 2.563 . . . . 0.0 114.29 -173.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 -49.99 0.23 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.884 1.674 . . . . 0.0 112.043 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.47 -4.35 40.27 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.653 1.596 . . . . 0.0 115.383 176.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.4 m -85.2 19.36 2.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.994 1.718 . . . . 0.0 114.351 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -55.93 -30.74 62.12 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.75 -1.219 . . . . 0.0 114.036 -174.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -74.76 -13.83 60.64 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.014 1.325 . . . . 0.0 114.134 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -89.44 -36.83 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.6 1.56 . . . . 0.0 110.026 172.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.74 -32.02 63.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.22 0.918 . . . . 0.0 112.699 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.35 69.89 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.657 1.183 . . . . 0.0 113.092 171.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.45 -44.26 91.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.14 -38.49 86.59 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.481 1.112 . . . . 0.0 112.412 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.2 60.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.712 1.142 . . . . 0.0 112.2 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.0 t -56.5 -54.31 47.31 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.258 1.023 . . . . 0.0 112.008 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.78 -44.24 90.62 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -60.67 -43.46 97.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.493 0.717 . . . . 0.0 112.621 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -56.91 -38.54 72.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.124 0.875 . . . . 0.0 112.284 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -66.95 -52.02 47.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.512 0.725 . . . . 0.0 111.928 172.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.62 72.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.94 -5.82 33.8 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.385 1.874 . . . . 0.0 114.368 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.81 8.77 59.08 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.061 1.315 . . . . 0.0 115.059 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -125.41 60.98 33.6 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 118.872 1.336 . . . . 0.0 112.66 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -66.19 -18.25 55.8 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.259 2.64 . . . . 0.0 114.008 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -51.53 -43.31 62.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.19 1.396 . . . . 0.0 112.63 172.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -67.18 -47.17 71.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.068 0.547 . . . . 0.0 111.433 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.92 75.24 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.939 0.896 . . . . 0.0 112.594 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -60.02 -33.12 71.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.114 0.965 . . . . 0.0 113.524 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.57 -5.75 35.66 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.229 1.412 . . . . 0.0 114.365 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -59.57 -56.0 27.39 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.638 1.108 . . . . 0.0 112.495 173.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.33 -18.72 63.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.935 0.894 . . . . 0.0 113.365 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.44 -1.76 51.12 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.51 1.524 . . . . 0.0 113.543 169.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m 59.28 36.16 23.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.483 1.913 . . . . 0.0 113.556 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -112.63 15.88 19.88 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.62 1.968 . . . . 0.0 113.358 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -51.05 84.63 Favored Pre-proline 0 CA--C 1.549 0.932 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 169.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.52 79.52 3.17 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.044 2.496 . . . . 0.0 112.52 -177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -130.06 61.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.002 1.721 . . . . 0.0 112.121 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 49.02 79.13 0.08 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.858 2.063 . . . . 0.0 113.582 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.0 mt -56.69 -33.35 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.854 1.262 . . . . 0.0 112.114 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.38 -33.2 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 120.91 -1.118 . . . . 0.0 112.241 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.12 -49.03 73.81 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.426 -0.796 . . . . 0.0 112.372 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.2 m -67.01 -24.59 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -63.75 -27.85 69.48 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 172.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -89.82 -2.42 58.22 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.278 1.431 . . . . 0.0 113.796 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.51 -40.69 96.1 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.767 1.227 . . . . 0.0 114.017 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.6 t60 39.4 49.77 1.92 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.981 2.512 . . . . 0.0 114.78 176.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -78.37 69.27 4.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.079 1.352 . . . . 0.0 112.325 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 63.53 3.77 1.57 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 127.893 2.477 . . . . 0.0 115.934 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.79 165.4 16.03 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.403 1.481 . . . . 0.0 112.994 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -71.44 149.73 45.62 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.257 1.423 . . . . 0.0 112.607 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -63.91 -30.52 71.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.066 0.947 . . . . 0.0 113.296 174.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.17 -22.44 66.87 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.142 0.977 . . . . 0.0 113.484 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp -71.31 -20.48 62.18 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.193 1.397 . . . . 0.0 113.301 175.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.22 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.561 1.144 . . . . 0.0 112.403 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.65 -61.86 7.04 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.454 1.102 . . . . 0.0 112.629 170.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -64.55 -29.94 61.24 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.076 1.851 . . . . 0.0 113.233 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.2 tp -55.02 -51.23 66.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.922 1.237 . . . . 0.0 111.305 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 37.6 t -59.07 -54.73 43.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.267 0.627 . . . . 0.0 111.915 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.43 -55.9 27.83 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.862 1.265 . . . . 0.0 113.203 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -59.54 -40.18 86.36 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.081 0.855 . . . . 0.0 112.835 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.69 -51.27 67.86 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.349 0.66 . . . . 0.0 111.169 171.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.15 -36.04 70.26 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.714 1.606 . . . . 0.0 114.147 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.0 m -55.23 -62.02 1.95 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.697 1.199 . . . . 0.0 111.371 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.61 -19.68 61.42 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -56.11 -38.95 71.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.59 1.156 . . . . 0.0 112.269 171.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -43.87 78.49 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.328 1.451 . . . . 0.0 112.223 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 83.7 m -72.05 -52.07 18.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.21 1.404 . . . . 0.0 111.868 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.03 -25.89 65.67 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.044 1.337 . . . . 0.0 114.397 -175.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 t -58.54 -34.19 70.73 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.081 1.353 . . . . 0.0 113.153 173.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.6 ttt -94.34 78.64 3.92 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.206 1.402 . . . . 0.0 110.894 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.529 1.932 . . . . 0.0 112.402 -177.63 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -78.54 -30.51 47.02 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -79.02 125.35 29.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.788 1.235 . . . . 0.0 111.237 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -102.8 115.96 31.63 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.866 1.266 . . . . 0.0 111.582 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -62.72 159.61 15.95 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.259 1.023 . . . . 0.0 112.717 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -153.1 159.62 42.81 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.271 1.428 . . . . 0.0 111.594 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -122.39 -40.23 2.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.956 1.302 . . . . 0.0 112.999 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -70.06 160.04 32.74 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.479 1.112 . . . . 0.0 112.023 171.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t 50.33 32.13 6.0 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.851 1.66 . . . . 0.0 114.107 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.07 169.83 52.58 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.98 1.276 . . . . 0.0 113.976 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.4 tp -141.69 99.27 3.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.711 1.604 . . . . 0.0 110.73 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 t 43.72 74.33 0.8 Allowed Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 127.577 2.351 . . . . 0.0 112.961 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.78 101.0 0.86 Allowed 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.829 3.019 . . . . 0.0 112.268 -176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -65.25 128.94 37.9 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.265 1.426 . . . . 0.0 111.732 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.75 115.37 0.84 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.193 1.378 . . . . 0.0 113.116 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -72.58 82.75 1.12 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.186 0.994 . . . . 0.0 111.284 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -128.26 -44.41 1.42 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.672 1.589 . . . . 0.0 112.123 175.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -79.85 -33.14 40.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.817 0.847 . . . . 0.0 111.769 170.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.46 -35.35 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.464 1.506 . . . . 0.0 110.771 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.81 -54.6 40.13 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.951 1.301 . . . . 0.0 111.829 175.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.17 91.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.278 1.031 . . . . 0.0 112.312 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -59.03 -52.25 66.56 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.164 . . . . 0.0 112.006 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -57.38 -47.86 80.55 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.546 1.539 . . . . 0.0 112.1 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.79 84.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.63 0.772 . . . . 0.0 113.014 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.69 -53.36 59.26 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.618 1.167 . . . . 0.0 111.993 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.77 -39.89 94.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.161 0.985 . . . . 0.0 112.998 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -60.63 -48.27 82.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.609 0.763 . . . . 0.0 111.475 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.55 -37.66 70.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.27 0.941 . . . . 0.0 112.749 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -60.99 -58.98 6.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.637 0.775 . . . . 0.0 112.018 169.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.46 68.59 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.28 -10.78 59.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.162 2.185 . . . . 0.0 114.717 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.77 56.18 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.532 1.063 . . . . 0.0 114.936 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -127.9 58.69 34.59 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.175 1.39 . . . . 0.0 112.911 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.8 -22.28 63.79 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.098 2.532 . . . . 0.0 113.757 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.21 -51.76 68.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.643 0.777 . . . . 0.0 111.207 174.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.82 -38.91 76.43 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.729 0.695 . . . . 0.0 112.505 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.7 89.11 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.094 0.861 . . . . 0.0 112.791 171.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.6 -28.73 67.43 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.03 -7.33 21.87 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.53 -54.93 36.63 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.313 1.415 . . . . 0.0 111.326 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.84 -23.24 65.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.51 -5.86 58.39 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.794 1.238 . . . . 0.0 113.255 172.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t 56.82 52.97 8.72 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.427 2.291 . . . . 0.0 113.377 -175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -132.66 22.26 4.28 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.651 1.581 . . . . 0.0 113.748 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.96 -54.03 58.31 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 172.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.99 77.7 3.84 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 123.36 2.707 . . . . 0.0 112.389 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 pt -128.14 65.32 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.164 1.786 . . . . 0.0 111.863 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m120 52.71 70.27 0.59 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.309 1.844 . . . . 0.0 112.146 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.06 -39.27 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.09 0.956 . . . . 0.0 111.342 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.98 -33.76 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.266 1.426 . . . . 0.0 112.57 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.46 -54.57 13.64 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.207 -0.933 . . . . 0.0 111.653 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.06 -33.32 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -73.53 -12.8 60.9 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 174.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -99.77 1.22 42.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.045 1.338 . . . . 0.0 112.923 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -74.57 64.46 1.2 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 112.305 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -75.39 45.17 0.29 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.118 2.167 . . . . 0.0 113.779 -176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -73.84 67.14 1.19 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.75 2.02 . . . . 0.0 112.792 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 49.07 47.35 22.0 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.67 2.388 . . . . 0.0 113.892 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 pp -133.47 175.59 9.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.402 1.881 . . . . 0.0 113.533 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.37 86.02 0.42 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.301 1.84 . . . . 0.0 113.621 -173.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -55.38 -32.66 62.79 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.271 1.429 . . . . 0.0 113.314 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.84 -28.75 67.76 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.636 1.174 . . . . 0.0 113.515 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -16.11 59.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.056 1.342 . . . . 0.0 112.914 175.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.7 t -90.73 -21.72 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.995 1.318 . . . . 0.0 112.673 -170.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.23 -62.24 5.61 Favored Pre-proline 0 CA--C 1.549 0.912 0 O-C-N 120.926 -1.109 . . . . 0.0 112.628 166.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.53 -26.61 54.39 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 122.278 1.986 . . . . 0.0 112.978 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.94 -48.82 75.05 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.282 0.947 . . . . 0.0 111.844 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.05 -47.66 80.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.09 0.556 . . . . 0.0 111.865 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.96 -52.76 63.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.653 0.781 . . . . 0.0 111.87 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -65.01 -35.53 81.48 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.94 -33.73 76.72 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.173 0.897 . . . . 0.0 112.918 171.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -69.78 -30.32 67.85 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.87 . . . . 0.0 113.021 171.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -59.91 -54.3 47.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.296 1.039 . . . . 0.0 113.305 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.24 -24.95 64.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.182 0.993 . . . . 0.0 112.593 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.45 -29.61 64.35 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.76 1.224 . . . . 0.0 112.917 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.38 -52.89 19.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.209 1.804 . . . . 0.0 111.731 169.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 49.8 t -74.91 -53.36 9.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.064 1.345 . . . . 0.0 111.433 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.89 -22.68 64.55 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -172.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t -60.35 -35.83 76.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.258 1.423 . . . . 0.0 112.992 171.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.2 ttt -97.84 94.05 6.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.046 1.339 . . . . 0.0 111.352 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.0 pttt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.962 1.705 . . . . 0.0 113.941 175.149 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 110.721 -0.103 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 54.89 29.25 11.74 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.638 1.975 . . . . 0.0 115.204 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -79.49 157.23 27.51 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.426 -1.421 . . . . 0.0 112.333 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 52.75 17.51 0.85 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 127.136 2.174 . . . . 0.0 115.879 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -78.68 80.01 5.07 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.487 -1.383 . . . . 0.0 112.136 -176.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -149.66 157.27 43.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.781 1.633 . . . . 0.0 111.544 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -137.17 81.15 1.85 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.368 1.467 . . . . 0.0 111.335 -176.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 t -89.89 103.97 16.58 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.924 1.289 . . . . 0.0 111.13 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 t -138.88 118.42 12.95 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.111 1.365 . . . . 0.0 111.378 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.92 153.24 12.81 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 126.154 1.835 . . . . 0.0 114.056 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 tp -152.15 53.26 0.8 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.255 1.422 . . . . 0.0 111.464 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -148.23 85.74 6.25 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 124.473 1.109 . . . . 0.0 111.885 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.54 142.15 39.76 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.575 2.184 . . . . 0.0 110.959 171.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -148.27 142.05 25.68 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.871 1.269 . . . . 0.0 111.131 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.71 -27.7 73.66 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.694 0.664 . . . . 0.0 113.963 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.63 20.43 0.58 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.431 1.893 . . . . 0.0 114.425 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -52.57 -38.94 60.92 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.576 1.551 . . . . 0.0 113.826 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.41 -34.04 77.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.124 0.97 . . . . 0.0 113.044 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.19 -44.2 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 124.438 1.095 . . . . 0.0 109.311 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -55.84 -40.28 72.62 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.273 0.629 . . . . 0.0 112.154 171.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.78 91.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -61.82 -54.85 36.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.825 0.85 . . . . 0.0 111.862 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.22 -26.49 68.15 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.41 -58.29 8.17 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.339 0.972 . . . . 0.0 112.469 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m -59.98 -41.53 92.21 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.89 -47.17 84.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.626 0.77 . . . . 0.0 112.877 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.93 -42.0 97.28 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.609 0.764 . . . . 0.0 112.672 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.71 -35.42 66.08 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.856 0.753 . . . . 0.0 112.764 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -66.69 -52.18 47.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.649 0.78 . . . . 0.0 111.666 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.57 72.08 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.656 1.183 . . . . 0.0 113.457 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.97 -9.67 55.93 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.787 1.635 . . . . 0.0 114.666 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.65 7.23 56.89 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.037 1.303 . . . . 0.0 115.104 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -128.61 63.08 63.61 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 118.922 1.361 . . . . 0.0 112.567 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.39 -20.0 69.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.887 2.391 . . . . 0.0 113.172 177.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -58.31 -35.82 72.42 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.01 -45.95 89.97 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.13 1.332 . . . . 0.0 111.664 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.34 -32.5 66.79 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -63.31 -30.42 71.56 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.11 -11.14 60.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.828 1.195 . . . . 0.0 112.998 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -63.23 -49.82 72.64 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.58 1.082 . . . . 0.0 111.566 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.37 -27.41 65.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.869 0.868 . . . . 0.0 112.623 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.17 -5.84 52.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.503 1.521 . . . . 0.0 113.717 170.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m 59.66 38.65 21.85 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.812 2.045 . . . . 0.0 114.215 -176.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -125.16 31.78 5.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.915 1.686 . . . . 0.0 113.24 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.97 -45.35 86.83 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 163.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -79.05 76.61 4.46 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.023 2.482 . . . . 0.0 112.212 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.8 58.65 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.71 1.604 . . . . 0.0 112.266 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.7 m120 54.23 76.6 0.23 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.311 1.845 . . . . 0.0 112.207 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.58 -43.39 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.452 0.701 . . . . 0.0 111.079 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.5 t -59.41 -29.7 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.686 1.194 . . . . 0.0 113.201 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.93 -57.64 3.91 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.865 0.757 . . . . 0.0 111.602 171.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.5 m -68.82 -33.98 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -172.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -64.81 -26.11 68.2 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.212 1.005 . . . . 0.0 112.993 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -83.37 5.92 21.78 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.905 1.682 . . . . 0.0 113.495 -175.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -71.42 69.84 0.6 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.881 1.672 . . . . 0.0 112.286 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -63.37 -17.4 62.58 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.498 1.919 . . . . 0.0 113.888 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -55.86 104.48 0.14 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.601 1.56 . . . . 0.0 111.883 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 62.13 28.85 17.36 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.782 2.033 . . . . 0.0 115.198 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -135.23 125.02 25.41 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.149 1.38 . . . . 0.0 113.096 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.58 135.42 57.64 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.981 1.312 . . . . 0.0 112.108 171.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.24 -31.38 69.02 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.44 -0.787 . . . . 0.0 112.733 176.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -68.07 -21.89 64.96 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.5 mt -80.77 -16.28 54.23 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.125 0.97 . . . . 0.0 113.459 172.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.75 -33.43 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.535 1.134 . . . . 0.0 111.781 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.27 -68.25 0.73 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.014 1.326 . . . . 0.0 112.902 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -62.02 -31.89 84.01 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 121.621 1.615 . . . . 0.0 112.543 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.1 tp -54.58 -59.41 4.74 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.175 0.99 . . . . 0.0 111.777 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 p -63.48 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.98 -52.47 65.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.826 1.193 . . . . 0.0 112.317 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -65.71 -34.31 77.9 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.41 -43.65 85.17 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.89 0.768 . . . . 0.0 112.222 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -62.13 -44.19 97.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.149 1.38 . . . . 0.0 114.064 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t -62.2 -35.59 79.32 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.76 1.164 . . . . 0.0 113.014 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.62 -26.35 57.7 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.01 -37.1 78.71 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.701 1.137 . . . . 0.0 112.545 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -55.88 -53.68 53.82 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.295 1.038 . . . . 0.0 111.384 171.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.4 m -60.04 -48.41 81.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.658 1.183 . . . . 0.0 112.369 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.01 -23.13 63.08 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.0 t -66.01 -44.85 83.55 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.368 1.067 . . . . 0.0 112.221 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 40.0 mtp -80.73 165.6 21.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.011 0.924 . . . . 0.0 112.118 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.014 1.326 . . . . 0.0 111.811 177.378 . . . . . . . . 0 0 . 1 stop_ save_