data_1sb0_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 1sb0 _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 ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 107.532 -1.284 . . . . 10.0 107.532 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.9 59.07 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 118.395 0.543 . . . . 10.0 112.158 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -80.73 -9.73 59.78 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.857 1.263 . . . . 10.0 114.158 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -39.77 -49.99 2.35 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.798 1.239 . . . . 10.0 114.299 -169.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -55.76 -22.09 22.28 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 -174.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -67.18 -28.53 68.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.509 0.595 . . . . 10.0 111.992 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.53 100.85 4.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.332 0.586 . . . . 10.0 111.588 -169.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -85.89 165.05 17.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.507 1.523 . . . . 10.0 111.157 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -45.86 -42.38 12.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.657 1.983 . . . . 10.0 112.095 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.43 -46.43 90.14 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.76 -0.588 . . . . 10.0 110.77 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.19 -42.14 89.27 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -53.13 -46.45 68.78 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.092 0.405 . . . . 10.0 110.275 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.0 m -59.53 -49.13 78.98 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.156 0.982 . . . . 10.0 110.654 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -61.94 -40.39 95.38 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.826 -0.546 . . . . 10.0 110.759 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.03 -45.62 91.4 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.587 -0.696 . . . . 10.0 110.932 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.5 t -52.38 -47.0 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.442 -0.786 . . . . 10.0 109.773 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -56.25 -50.01 72.55 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.663 -0.648 . . . . 10.0 110.724 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -49.87 -47.07 52.11 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 118.727 -0.654 . . . . 10.0 111.152 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -52.98 -55.92 19.95 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.932 0.787 . . . . 10.0 109.988 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -53.24 -55.51 12.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.606 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -65.26 -36.12 83.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.084 1.311 . . . . 10.0 112.797 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.92 84.97 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.658 -0.651 . . . . 10.0 111.13 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.53 -54.22 17.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -133.93 93.25 20.68 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 127.761 2.424 . . . . 10.0 109.849 -169.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.5 81.43 0.42 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 123.443 2.762 . . . . 10.0 109.914 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.4 m -59.87 124.9 78.84 Favored Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 125.272 1.429 . . . . 10.0 111.037 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.94 -50.66 11.34 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.69 3.593 . . . . 10.0 114.5 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -143.43 134.8 12.71 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-O 117.819 -1.086 . . . . 10.0 109.13 -173.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -42.21 -44.44 7.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.804 3.003 . . . . 10.0 113.86 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.767 -0.583 . . . . 10.0 112.052 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.63 58.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.191 0.596 . . . . 10.0 111.559 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.9 mt -57.19 -22.04 37.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.186 0.594 . . . . 10.0 112.338 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -62.54 -28.1 69.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.478 0.581 . . . . 10.0 112.261 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.08 137.21 57.54 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.901 0.773 . . . . 10.0 110.55 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -50.06 -40.43 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.002 0.921 . . . . 10.0 112.62 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -53.55 -49.62 67.25 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 10.0 109.723 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.9 mmm -69.51 -44.06 71.82 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 118.908 -0.568 . . . . 10.0 109.812 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -49.19 -44.4 43.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.671 0.669 . . . . 10.0 110.624 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -59.95 -46.14 90.36 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.148 -0.345 . . . . 10.0 111.317 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.68 -40.53 95.56 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.736 -0.603 . . . . 10.0 110.911 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.15 -52.22 61.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 124.426 1.09 . . . . 10.0 108.853 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.75 -49.01 74.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.169 0.588 . . . . 10.0 110.928 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -52.0 -54.5 29.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.91 0.484 . . . . 10.0 110.273 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.32 86.04 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.225 0.61 . . . . 10.0 111.115 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.28 -53.99 50.69 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.076 0.398 . . . . 10.0 110.395 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -52.3 -55.59 20.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.788 0.835 . . . . 10.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.14 -51.6 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.142 0.977 . . . . 10.0 110.405 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -55.45 -48.95 73.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.115 0.87 . . . . 10.0 111.168 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.82 -54.23 32.05 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.58 -50.22 54.34 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.456 0.703 . . . . 10.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.8 mmt -59.24 -45.5 90.99 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 119.083 -0.484 . . . . 10.0 111.374 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.27 -51.89 60.81 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.357 0.526 . . . . 10.0 110.137 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.73 -32.75 72.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 m -69.86 -42.4 73.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.769 -0.582 . . . . 10.0 112.029 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.26 113.23 5.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.106 0.962 . . . . 10.0 113.023 -169.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -61.49 -23.03 65.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.07 0.948 . . . . 10.0 113.041 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 m -154.55 151.3 28.71 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.16 -0.962 . . . . 10.0 109.884 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -53.73 -51.01 64.68 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.705 0.764 . . . . 10.0 111.402 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.12 -44.68 21.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.042 0.537 . . . . 10.0 111.927 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.24 -48.32 76.26 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -49.34 -48.42 46.61 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.556 0.742 . . . . 10.0 111.317 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -60.52 -52.58 64.57 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.598 -0.689 . . . . 10.0 111.505 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -52.7 -64.36 0.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.165 0.586 . . . . 10.0 111.544 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.3 OUTLIER -63.0 -28.24 69.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.792 0.724 . . . . 10.0 112.824 -175.282 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.54 -58.18 7.81 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.716 1.144 . . . . 10.0 110.697 170.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.49 -44.46 76.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.912 -0.492 . . . . 10.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -55.95 -50.84 69.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.513 0.725 . . . . 10.0 110.231 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -55.57 -49.77 71.84 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.384 0.538 . . . . 10.0 110.696 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.2 mt -51.88 -51.16 30.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -56.08 -50.33 71.32 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -53.89 -49.49 68.44 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.963 -0.541 . . . . 10.0 111.184 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -51.14 -56.32 5.21 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 118.74 0.7 . . . . 10.0 109.79 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -65.43 -41.15 93.84 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 118.78 -1.168 . . . . 10.0 111.893 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -57.57 -47.8 81.1 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 120.488 -1.382 . . . . 10.0 110.636 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 CA--C 1.537 0.456 0 C-N-CA 124.232 1.013 . . . . 10.0 111.094 179.751 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 113.343 0.868 . . . . 10.0 113.343 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.0 -45.61 82.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.216 0.606 . . . . 10.0 110.276 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.56 -44.86 89.42 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.6 mm -51.75 -57.65 3.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.657 0.742 . . . . 10.0 109.216 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpp? -66.75 -38.8 87.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.277 -0.874 . . . . 10.0 111.274 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -59.82 -54.85 41.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.613 1.097 . . . . 10.0 110.864 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.21 -43.34 87.61 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.234 -0.291 . . . . 10.0 110.405 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.15 -55.98 23.32 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.293 0.568 . . . . 10.0 110.97 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.1 tp -58.75 -38.06 77.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 125.195 1.398 . . . . 10.0 111.514 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 56.1 tp -45.51 -49.39 13.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.544 0.738 . . . . 10.0 110.695 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -68.15 -52.16 37.81 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.4 mtt -56.83 -36.29 69.81 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.493 0.717 . . . . 10.0 112.798 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 96.3 p -55.03 -46.35 75.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.776 0.83 . . . . 10.0 112.156 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -24.54 -69.5 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.51 2.324 . . . . 10.0 115.595 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.22 -38.87 71.61 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.787 -0.57 . . . . 10.0 111.852 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 . . . . . 0 N--CA 1.454 -0.24 0 C-N-CA 123.968 0.907 . . . . 10.0 108.82 179.089 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 112.087 0.402 . . . . 10.0 112.087 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -74.58 0.54 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -56.18 -23.11 33.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.512 1.525 . . . . 10.0 112.131 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.21 -33.18 5.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.165 1.386 . . . . 10.0 111.902 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.88 -28.46 36.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.802 0.841 . . . . 10.0 112.187 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -85.43 -57.42 3.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.806 0.842 . . . . 10.0 109.706 172.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.19 87.88 2.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.405 -169.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.9 p -80.89 166.41 20.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.462 1.505 . . . . 10.0 111.925 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -47.13 -43.91 21.12 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.852 2.061 . . . . 10.0 111.644 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -53.75 -54.72 34.2 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.347 0.659 . . . . 10.0 110.793 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.26 -41.79 96.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtt180 -53.79 -51.12 64.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.251 0.478 . . . . 10.0 110.309 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.5 t -60.09 -49.21 78.56 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.657 0.783 . . . . 10.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -61.05 -41.44 96.61 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.759 -0.588 . . . . 10.0 110.072 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.66 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.995 -1.066 . . . . 10.0 111.221 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 t -49.02 -50.05 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.806 0.73 . . . . 10.0 109.668 173.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -52.72 -51.11 61.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.017 -0.516 . . . . 10.0 110.924 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -56.76 -37.81 71.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.272 0.942 . . . . 10.0 112.355 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.08 -53.68 55.47 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 119.648 1.113 . . . . 10.0 109.506 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.2 t -52.08 -52.47 23.65 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-O 118.534 -0.746 . . . . 10.0 109.973 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -57.39 -50.96 71.31 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.163 0.892 . . . . 10.0 111.33 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.88 81.95 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.802 -0.561 . . . . 10.0 111.648 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.56 -41.76 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 122.896 0.478 . . . . 10.0 110.687 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -151.92 90.42 3.88 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 125.999 1.719 . . . . 10.0 110.049 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.05 121.29 9.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.435 2.09 . . . . 10.0 110.695 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.8 p -81.55 124.11 80.3 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 117.675 -1.155 . . . . 10.0 110.416 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.85 -39.03 31.45 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 123.516 2.811 . . . . 10.0 113.529 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -146.46 136.04 11.65 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -45.79 -42.37 19.65 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.266 2.644 . . . . 10.0 112.907 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.31 -24.84 20.74 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.678 -0.639 . . . . 10.0 112.641 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.12 67.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.814 -0.554 . . . . 10.0 112.221 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.0 mt -47.61 -38.0 13.71 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.117 0.967 . . . . 10.0 112.931 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -77.48 -5.86 51.43 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.91 143.8 57.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.315 0.961 . . . . 10.0 111.552 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -40.99 -43.25 2.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.756 1.622 . . . . 10.0 113.479 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -70.57 -58.0 4.15 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -52.99 -42.1 65.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.381 1.072 . . . . 10.0 112.103 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -46.0 -37.0 6.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.862 0.865 . . . . 10.0 112.579 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -65.06 -49.11 71.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.325 0.583 . . . . 10.0 110.516 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.92 -41.6 95.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.179 0.592 . . . . 10.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.8 -51.73 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.251 0.621 . . . . 10.0 109.523 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.88 75.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.805 0.442 . . . . 10.0 110.778 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -54.91 -51.28 66.53 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.71 0.232 . . . . 10.0 110.622 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.21 83.11 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.986 0.515 . . . . 10.0 111.052 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -54.72 -54.42 42.15 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -53.31 -54.18 40.22 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.408 0.683 . . . . 10.0 110.471 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -46.36 96.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 122.8 0.44 . . . . 10.0 110.44 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -56.47 -46.32 80.48 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.761 0.709 . . . . 10.0 110.609 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.84 -53.7 35.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.096 -0.802 . . . . 10.0 111.096 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -50.59 -50.67 53.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.91 0.884 . . . . 10.0 110.533 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.44 -46.15 91.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.169 -0.443 . . . . 10.0 111.085 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -53.42 -50.49 65.09 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.429 0.559 . . . . 10.0 110.211 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.72 -41.7 95.79 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.395 0.278 . . . . 10.0 111.624 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 m -66.22 -35.47 80.53 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.59 108.18 4.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -169.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -54.97 -34.79 63.63 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.369 1.067 . . . . 10.0 112.456 169.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -141.85 162.5 35.32 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.488 1.115 . . . . 10.0 109.918 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -57.61 -44.5 85.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.103 0.561 . . . . 10.0 110.125 169.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -50.59 -53.09 33.33 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.897 0.479 . . . . 10.0 110.513 173.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -55.84 -53.45 56.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.13 -50.97 26.8 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.565 1.146 . . . . 10.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -60.5 -52.01 67.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.852 -0.53 . . . . 10.0 111.07 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -53.23 -62.27 1.76 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.671 0.388 . . . . 10.0 111.971 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -65.31 -29.02 69.73 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.699 -0.667 . . . . 10.0 112.761 -175.586 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.3 mt -66.05 -53.98 31.6 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.94 1.246 . . . . 10.0 110.991 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.77 78.07 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.915 -0.491 . . . . 10.0 109.995 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.65 -44.25 90.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.213 0.605 . . . . 10.0 110.931 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -56.42 -52.89 62.96 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.83 0.741 . . . . 10.0 110.49 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.4 mt -51.46 -54.25 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.133 0.492 . . . . 10.0 110.111 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -51.48 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.769 1.228 . . . . 10.0 109.271 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mmpp? -52.25 -51.89 55.75 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.802 -1.094 . . . . 10.0 111.087 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -54.42 -56.84 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 120.653 1.569 . . . . 10.0 109.548 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.55 -27.08 62.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 10.0 112.685 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -79.4 -69.85 0.55 Allowed 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.333 -0.854 . . . . 10.0 110.207 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 127.209 2.204 . . . . 10.0 112.455 -173.406 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -53.3 57.7 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.799 0.84 . . . . 10.0 108.851 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -56.08 -49.95 72.38 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 125.455 1.502 . . . . 10.0 109.291 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.52 -51.2 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.67 -48.59 68.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.295 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -60.93 -41.52 96.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.489 1.04 . . . . 10.0 110.863 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.19 -54.03 50.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.184 0.593 . . . . 10.0 110.389 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.04 -52.57 65.17 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.449 0.642 . . . . 10.0 110.124 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.12 -43.86 91.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.407 1.483 . . . . 10.0 111.215 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.1 tp -49.62 -55.18 14.55 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.339 0.656 . . . . 10.0 110.96 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.5 -52.7 63.43 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.0 mtt -49.51 -39.31 33.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.705 0.802 . . . . 10.0 112.327 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -68.64 -11.32 59.95 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.308 -0.87 . . . . 10.0 112.888 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 20.8 m -60.21 -48.31 82.26 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.764 1.166 . . . . 10.0 110.16 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.53 -43.03 99.81 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.715 -0.616 . . . . 10.0 110.33 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 CA-C-N 118.024 0.375 . . . . 10.0 110.689 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.11 -72.99 0.9 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 120.97 -1.081 . . . . 10.0 110.999 -171.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -50.19 -36.43 30.5 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.166 1.386 . . . . 10.0 112.207 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -35.5 -43.43 0.26 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.794 2.037 . . . . 10.0 111.844 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.41 -36.59 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.065 0.946 . . . . 10.0 112.993 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.71 -44.79 55.45 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.554 0.692 . . . . 10.0 109.496 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.16 87.87 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 121.794 0.807 . . . . 10.0 109.714 -173.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.6 p -69.59 166.0 19.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.651 1.18 . . . . 10.0 112.198 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -50.86 -39.87 54.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.531 -1.213 . . . . 10.0 111.266 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.94 -51.03 71.33 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.507 0.594 . . . . 10.0 110.288 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.52 -44.53 94.03 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 119.185 -0.436 . . . . 10.0 110.206 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -49.84 -53.48 25.3 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.861 0.755 . . . . 10.0 110.682 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 m -58.35 -44.41 88.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.425 1.49 . . . . 10.0 110.712 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.01 -44.7 91.8 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.867 -0.521 . . . . 10.0 110.754 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.84 -45.17 93.86 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.31 -0.869 . . . . 10.0 110.96 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 t -49.68 -48.43 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.679 0.792 . . . . 10.0 109.847 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -56.04 -51.05 69.19 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.609 -0.682 . . . . 10.0 110.966 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -50.84 -43.94 59.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.743 0.701 . . . . 10.0 111.871 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.25 -52.12 66.6 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.028 0.831 . . . . 10.0 110.671 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -53.23 -48.84 54.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.747 0.703 . . . . 10.0 110.262 176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.4 -44.52 89.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.483 0.583 . . . . 10.0 111.311 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.07 99.73 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.639 -0.663 . . . . 10.0 111.686 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.42 -39.24 83.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.638 0.775 . . . . 10.0 110.482 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -165.81 94.42 0.82 Allowed Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 10.0 110.123 -168.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.48 105.5 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.296 2.664 . . . . 10.0 111.037 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 m -76.24 122.52 86.94 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.792 1.237 . . . . 10.0 110.838 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -48.37 -56.94 2.67 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.345 3.363 . . . . 10.0 113.702 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -134.3 126.98 18.69 Favored Pre-proline 0 N--CA 1.45 -0.438 0 C-N-CA 124.652 1.181 . . . . 10.0 108.251 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -42.34 -42.54 7.79 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 124.334 3.356 . . . . 10.0 114.015 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.28 -35.36 12.02 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.922 0.712 . . . . 10.0 112.922 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.43 49.51 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.645 0.778 . . . . 10.0 112.313 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -54.28 -24.81 20.34 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.447 0.699 . . . . 10.0 111.914 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.37 -12.8 61.83 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.62 143.48 28.41 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.6 1.091 . . . . 10.0 112.134 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -51.01 -39.5 55.94 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.832 1.653 . . . . 10.0 112.637 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.99 -57.41 13.22 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mmm -60.01 -38.48 82.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.784 -0.572 . . . . 10.0 111.108 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -49.37 -35.92 20.19 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.664 0.785 . . . . 10.0 111.853 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.86 -45.16 79.01 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.806 -0.559 . . . . 10.0 110.997 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.24 -46.05 88.71 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.797 -0.565 . . . . 10.0 109.644 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.76 -50.55 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.926 0.89 . . . . 10.0 109.902 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.24 74.31 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.225 0.61 . . . . 10.0 111.07 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.0 -51.52 56.79 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.768 0.427 . . . . 10.0 110.289 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.91 84.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.169 0.587 . . . . 10.0 111.832 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -55.19 -52.34 63.66 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.502 0.721 . . . . 10.0 110.234 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.18 -59.24 4.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.824 0.85 . . . . 10.0 110.171 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -46.74 93.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.231 -172.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -57.76 -42.21 83.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.357 -0.839 . . . . 10.0 110.435 173.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.96 -55.64 20.18 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.391 -1.084 . . . . 10.0 110.391 171.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.27 -47.74 62.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.323 0.561 . . . . 10.0 111.313 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.0 mmt -60.94 -47.83 84.64 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 122.127 -0.358 . . . . 10.0 111.607 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.13 -39.92 76.1 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.983 1.313 . . . . 10.0 110.749 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.7 -47.04 64.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.847 0.859 . . . . 10.0 111.525 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -72.95 -29.88 63.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.556 0.947 . . . . 10.0 113.556 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.18 117.23 16.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 122.17 0.986 . . . . 10.0 112.9 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -82.8 -12.42 57.5 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.657 1.183 . . . . 10.0 112.041 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.6 t -150.68 161.87 41.77 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.241 1.016 . . . . 10.0 108.662 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.85 -41.75 92.1 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.704 1.202 . . . . 10.0 110.078 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -54.14 -47.68 71.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.593 0.357 . . . . 10.0 111.386 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -60.06 -52.58 64.75 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -46.92 -51.32 17.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.88 0.872 . . . . 10.0 111.914 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.57 -48.6 76.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.796 -0.565 . . . . 10.0 111.618 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -53.72 -60.93 2.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.414 0.552 . . . . 10.0 112.06 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.355 0.4 OUTLIER -66.87 -30.03 70.09 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.888 0.767 . . . . 10.0 112.59 -174.703 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.07 -50.52 65.83 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.737 1.153 . . . . 10.0 111.223 170.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -48.81 76.03 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.929 -0.482 . . . . 10.0 110.067 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.89 -46.13 74.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.317 1.047 . . . . 10.0 111.054 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -57.36 -52.88 63.56 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.684 0.675 . . . . 10.0 110.344 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.1 mt -51.64 -53.31 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.874 -0.516 . . . . 10.0 110.869 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -51.36 57.97 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.013 1.325 . . . . 10.0 109.387 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -56.19 -51.27 68.65 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.962 0.905 . . . . 10.0 111.553 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -52.99 -55.88 10.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 119.682 1.128 . . . . 10.0 109.632 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.12 -34.76 73.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -70.55 -52.22 23.15 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.202 0.91 . . . . 10.0 111.24 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 125.119 1.368 . . . . 10.0 111.123 -172.711 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -59.04 -45.05 91.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.117 0.567 . . . . 10.0 110.705 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -62.3 -46.17 89.94 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.23 -51.03 59.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.924 0.489 . . . . 10.0 110.651 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -66.93 -49.78 64.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.791 -0.568 . . . . 10.0 111.125 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -53.09 -47.97 68.12 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.287 0.494 . . . . 10.0 110.528 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.69 -53.46 58.1 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.63 0.772 . . . . 10.0 111.209 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.06 -49.36 78.16 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.108 0.48 . . . . 10.0 109.929 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.29 -43.36 96.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.428 1.091 . . . . 10.0 111.67 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.63 -48.51 63.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.268 0.627 . . . . 10.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.32 -54.08 38.77 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.8 mtt -47.47 -44.77 25.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.893 0.877 . . . . 10.0 111.621 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t -63.85 -9.61 15.92 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.172 1.389 . . . . 10.0 113.633 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 61.0 m -55.53 -31.81 62.41 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 119.935 1.243 . . . . 10.0 112.017 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -47.03 -44.27 20.4 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.863 0.756 . . . . 10.0 111.08 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.559 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 tptt . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.3 -76.53 0.48 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 109.917 -1.273 . . . . 10.0 109.917 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -50.54 -34.96 27.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.861 1.264 . . . . 10.0 111.021 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -32.15 -45.08 0.1 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.675 2.39 . . . . 10.0 112.083 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -50.11 -37.44 34.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.634 0.774 . . . . 10.0 112.616 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -78.23 -52.74 8.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.947 0.88 . . . . 10.0 109.336 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.15 77.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-O 122.823 1.297 . . . . 10.0 109.7 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.2 p -75.1 162.93 28.09 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.647 1.979 . . . . 10.0 110.343 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -50.11 -36.92 31.66 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.376 0.671 . . . . 10.0 112.092 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.95 -48.18 80.71 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.365 0.984 . . . . 10.0 110.851 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.86 -43.44 83.56 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -51.63 -48.54 63.29 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.633 0.651 . . . . 10.0 110.643 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.5 m -59.82 -47.28 86.34 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.648 1.579 . . . . 10.0 110.8 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -58.68 -45.42 89.47 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.986 -0.446 . . . . 10.0 109.898 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.02 -45.53 91.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.256 -0.902 . . . . 10.0 111.238 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.7 t -50.96 -50.03 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.529 -0.732 . . . . 10.0 110.239 170.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -54.79 -48.68 72.4 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.632 -0.667 . . . . 10.0 110.186 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -56.02 -41.22 74.6 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-O 118.354 -0.832 . . . . 10.0 112.3 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.96 -54.05 47.77 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.805 1.184 . . . . 10.0 108.954 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -53.55 -52.88 29.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 CA-C-O 118.271 -0.871 . . . . 10.0 110.099 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -58.35 -51.78 68.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.519 1.054 . . . . 10.0 112.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.22 82.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.2 0.6 . . . . 10.0 111.066 -172.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.37 -51.54 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 109.95 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -141.27 90.64 9.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 127.465 2.306 . . . . 10.0 110.667 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.71 123.82 14.62 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.498 2.132 . . . . 10.0 110.843 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.8 p -91.92 119.99 68.1 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 117.835 -1.078 . . . . 10.0 110.256 -175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -49.12 -40.57 41.85 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.531 2.82 . . . . 10.0 113.938 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.16 134.46 11.31 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 117.8 -1.095 . . . . 10.0 108.736 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.42 -42.67 13.91 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.592 2.861 . . . . 10.0 113.577 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.8 52.29 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.513 -0.742 . . . . 10.0 112.033 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -26.09 51.79 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.263 0.625 . . . . 10.0 111.758 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -52.66 -26.73 14.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.254 0.622 . . . . 10.0 112.22 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -67.66 -21.87 65.33 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.52 133.55 55.84 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.404 -0.81 . . . . 10.0 110.215 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -47.37 -43.95 23.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.228 1.011 . . . . 10.0 113.409 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.6 96.29 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.496 -0.752 . . . . 10.0 109.757 177.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.65 -44.11 94.79 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.086 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.2 -41.6 68.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.418 1.008 . . . . 10.0 110.824 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -61.19 -48.8 79.89 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.792 -0.568 . . . . 10.0 111.617 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.79 -40.89 96.81 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.64 -51.04 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.658 1.583 . . . . 10.0 109.017 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.82 76.12 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.192 0.451 . . . . 10.0 110.85 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.06 -51.81 65.16 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.29 0.236 . . . . 10.0 110.4 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.38 80.54 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.241 0.617 . . . . 10.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.14 -54.11 50.47 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.094 0.558 . . . . 10.0 110.438 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -52.88 -54.18 38.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.508 0.723 . . . . 10.0 110.326 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -46.42 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.465 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.3 -43.08 74.49 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.405 1.002 . . . . 10.0 110.857 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.02 -54.66 27.79 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.02 -47.64 64.91 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.77 0.428 . . . . 10.0 110.851 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.17 -47.76 84.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.834 0.454 . . . . 10.0 111.304 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -53.04 -44.67 67.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.433 1.093 . . . . 10.0 110.101 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.92 -41.5 64.5 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.903 0.705 . . . . 10.0 112.903 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -65.17 -41.77 94.31 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.447 -0.783 . . . . 10.0 111.279 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.55 99.01 7.86 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.518 0.727 . . . . 10.0 112.324 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.73 37.26 0.23 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.48 -1.388 . . . . 10.0 111.774 172.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -173.84 152.15 1.94 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.772 1.629 . . . . 10.0 108.837 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -59.56 -42.51 92.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.515 0.726 . . . . 10.0 110.061 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.29 -57.22 11.31 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.363 1.065 . . . . 10.0 109.729 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -56.94 -48.4 78.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.82 -51.03 59.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.936 0.494 . . . . 10.0 111.817 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -58.36 -50.63 72.98 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.883 -0.511 . . . . 10.0 110.752 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -52.6 -61.97 1.94 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.337 0.5 OUTLIER -66.15 -28.79 69.05 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.004 0.82 . . . . 10.0 112.81 -174.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.0 mt -64.48 -53.03 54.52 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.772 1.169 . . . . 10.0 110.235 171.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.11 79.15 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.03 -0.419 . . . . 10.0 110.392 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.3 -44.96 84.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.469 0.708 . . . . 10.0 110.815 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -56.93 -52.52 64.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.37 0.532 . . . . 10.0 110.235 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.13 -54.74 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 121.325 0.583 . . . . 10.0 110.148 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -54.59 21.31 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.353 1.461 . . . . 10.0 109.186 -177.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.61 -52.77 64.06 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.134 0.973 . . . . 10.0 110.77 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -47.89 -59.91 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 119.615 1.098 . . . . 10.0 109.147 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -52.39 -55.09 24.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.762 -0.375 . . . . 10.0 111.156 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -58.17 -61.58 2.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.293 0.637 . . . . 10.0 112.688 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.836 1.255 . . . . 10.0 109.75 -179.531 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 113.356 0.873 . . . . 10.0 113.356 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.54 -39.92 92.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.55 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -48.76 78.79 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.76 -53.03 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.253 0.621 . . . . 10.0 110.005 174.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.41 -51.26 64.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.218 -0.42 . . . . 10.0 110.979 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -52.7 -49.32 65.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.419 0.554 . . . . 10.0 110.429 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.22 -50.21 73.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.082 0.953 . . . . 10.0 110.881 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.19 -53.35 59.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.618 0.723 . . . . 10.0 110.225 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.18 -40.73 82.25 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.026 1.33 . . . . 10.0 111.862 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.9 tp -47.8 -49.8 27.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.953 0.901 . . . . 10.0 111.002 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.04 -51.0 43.53 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 64.0 mtt -52.44 -38.57 59.53 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.571 -0.706 . . . . 10.0 112.127 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -62.3 -9.96 9.59 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -56.48 -34.42 66.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.681 1.128 . . . . 10.0 112.055 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.07 -53.76 48.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.703 1.138 . . . . 10.0 110.391 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.232 0.158 0 C-N-CA 124.18 0.992 . . . . 10.0 109.7 -178.825 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.9 -63.71 3.78 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.003 -1.639 . . . . 10.0 109.003 -170.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -62.15 -26.52 68.37 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.867 0.467 . . . . 10.0 111.681 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -43.78 -46.96 7.95 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.789 1.236 . . . . 10.0 112.066 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.74 -29.3 64.64 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.743 0.817 . . . . 10.0 112.383 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -75.85 -14.93 60.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.745 0.818 . . . . 10.0 111.3 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -129.62 84.04 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.848 1.259 . . . . 10.0 108.433 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -74.17 165.46 25.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.512 1.125 . . . . 10.0 111.535 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -49.46 -39.67 34.2 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.906 -1.043 . . . . 10.0 111.992 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.09 -47.16 86.27 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.365 0.984 . . . . 10.0 110.642 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.94 -43.97 86.43 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -51.84 -48.25 64.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.337 0.517 . . . . 10.0 110.784 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 61.5 m -63.31 -45.92 89.11 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.109 1.363 . . . . 10.0 110.674 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -67.61 -32.55 73.35 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.457 -0.777 . . . . 10.0 110.698 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.63 -43.51 89.28 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 120.616 -1.303 . . . . 10.0 110.814 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -51.34 -48.11 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -53.37 -51.55 62.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.098 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -53.22 -43.23 67.09 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.506 0.593 . . . . 10.0 111.571 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 mt -57.28 -53.2 60.81 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 119.161 0.892 . . . . 10.0 110.206 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.59 -49.16 34.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.503 -0.76 . . . . 10.0 109.729 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -62.51 -46.23 89.37 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.288 0.949 . . . . 10.0 111.897 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.5 86.35 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.849 0.86 . . . . 10.0 111.523 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.99 -43.75 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.167 0.587 . . . . 10.0 110.473 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -147.68 92.65 4.71 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.262 1.825 . . . . 10.0 110.701 -168.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -60.18 109.96 0.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 121.837 1.691 . . . . 10.0 108.812 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 m -79.92 125.7 81.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 123.776 0.83 . . . . 10.0 110.808 -169.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.72 -48.83 18.9 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.329 3.352 . . . . 10.0 113.987 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -151.68 137.56 11.22 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 117.492 -1.242 . . . . 10.0 108.05 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -42.49 -43.96 8.28 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.518 2.812 . . . . 10.0 113.712 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.92 60.2 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.728 -0.608 . . . . 10.0 112.011 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.78 42.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.575 0.75 . . . . 10.0 112.063 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.74 -17.92 10.73 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -59.87 -30.31 68.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.935 0.789 . . . . 10.0 112.587 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.99 133.42 55.32 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.841 -0.537 . . . . 10.0 110.058 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -45.67 -45.49 14.13 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.535 1.134 . . . . 10.0 112.354 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -48.81 -55.72 10.79 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.325 1.05 . . . . 10.0 110.245 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.46 -43.86 80.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.508 -176.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -51.57 -45.45 63.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.957 0.799 . . . . 10.0 110.499 175.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -64.37 -45.98 85.35 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.86 -0.525 . . . . 10.0 111.034 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.4 -39.28 92.72 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.511 -0.743 . . . . 10.0 111.116 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -59.91 -50.18 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 126.229 1.811 . . . . 10.0 108.235 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.76 -49.47 70.79 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.176 0.444 . . . . 10.0 110.781 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -55.25 -49.87 70.94 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.011 0.369 . . . . 10.0 110.824 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.08 86.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.802 0.441 . . . . 10.0 111.137 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.63 -53.36 55.79 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.513 0.725 . . . . 10.0 110.042 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.25 -52.9 59.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.015 0.526 . . . . 10.0 110.917 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -47.36 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 122.052 -0.405 . . . . 10.0 110.694 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -56.84 -45.47 82.36 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.564 -0.71 . . . . 10.0 110.445 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.06 22.99 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.574 -1.011 . . . . 10.0 110.574 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -51.16 -49.5 60.76 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.286 0.634 . . . . 10.0 110.893 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.3 mmt -58.23 -48.04 81.63 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.61 -0.233 . . . . 10.0 111.074 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -56.5 -47.96 78.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.243 0.617 . . . . 10.0 110.738 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.46 -34.63 77.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.519 0.728 . . . . 10.0 111.802 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.3 t -71.72 -48.11 49.36 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.539 0.685 . . . . 10.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.45 108.29 2.76 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.208 1.003 . . . . 10.0 113.093 -169.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -6.25 41.78 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.447 -0.783 . . . . 10.0 112.421 175.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.8 m -155.5 152.66 29.18 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.675 -1.266 . . . . 10.0 110.196 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -54.97 -47.97 73.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.653 1.181 . . . . 10.0 111.798 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -51.03 -46.92 61.74 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.957 -0.464 . . . . 10.0 111.073 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.2 -51.54 69.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -49.36 -47.94 47.11 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.301 0.64 . . . . 10.0 111.874 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.88 -47.92 73.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.873 -0.517 . . . . 10.0 111.195 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -53.34 -61.52 2.25 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.338 0.3 OUTLIER -64.79 -29.35 70.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.994 0.815 . . . . 10.0 112.394 -173.541 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.22 -51.67 55.4 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.491 1.041 . . . . 10.0 111.082 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.18 85.19 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.776 -0.577 . . . . 10.0 110.301 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.25 -51.07 67.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.086 0.954 . . . . 10.0 110.307 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -51.52 -53.08 41.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.369 0.531 . . . . 10.0 110.118 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.4 mt -53.66 -51.8 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 117.923 0.329 . . . . 10.0 111.254 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -49.53 -57.23 7.45 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.029 1.332 . . . . 10.0 109.183 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -56.7 -50.61 71.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.904 -0.569 . . . . 10.0 111.321 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.3 mt -49.78 -59.3 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 118.697 0.681 . . . . 10.0 109.786 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -52.9 -52.52 57.32 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.977 0.353 . . . . 10.0 110.679 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -55.53 -40.03 71.31 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 121.161 0.505 . . . . 10.0 110.168 178.099 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 114.546 1.313 . . . . 10.0 114.546 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -60.42 -46.07 91.33 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.856 0.463 . . . . 10.0 110.664 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -43.88 96.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.627 0.771 . . . . 10.0 109.15 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.26 -54.77 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.888 0.475 . . . . 10.0 109.775 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -65.48 -44.68 86.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.275 -0.266 . . . . 10.0 110.695 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -54.45 -53.34 55.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.179 0.592 . . . . 10.0 110.232 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.11 -51.47 69.18 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.576 0.351 . . . . 10.0 110.948 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.51 -49.95 74.67 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.398 0.679 . . . . 10.0 110.171 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.28 -43.6 98.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.554 1.142 . . . . 10.0 111.283 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.9 tp -46.07 -52.76 11.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.344 1.058 . . . . 10.0 112.159 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.67 -52.0 67.53 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 76.5 mtp -54.59 -43.94 72.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.637 0.775 . . . . 10.0 110.201 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -59.97 -14.99 18.56 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 10.0 112.849 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -53.03 -35.08 59.07 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.9 -1.125 . . . . 10.0 109.923 169.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.01 -28.56 69.66 Favored 'General case' 0 C--O 1.224 -0.263 0 O-C-N 121.635 -0.665 . . . . 10.0 111.764 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.457 -0.075 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 171.774 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 111.748 0.277 . . . . 10.0 111.748 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.02 -65.56 3.75 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -64.63 -25.48 67.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.777 0.431 . . . . 10.0 111.029 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -39.73 -47.24 2.01 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.852 1.661 . . . . 10.0 111.569 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.62 -37.06 11.85 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 126.517 1.927 . . . . 10.0 112.812 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -69.24 -26.91 65.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.957 0.903 . . . . 10.0 111.58 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.1 t -116.32 94.35 3.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.351 1.06 . . . . 10.0 108.897 -172.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 p -82.23 166.93 19.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.38 1.472 . . . . 10.0 110.983 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -45.65 -41.87 10.81 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.945 1.298 . . . . 10.0 112.356 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.25 -47.93 83.88 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.53 -0.731 . . . . 10.0 110.999 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -67.54 -40.61 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.829 -0.544 . . . . 10.0 109.534 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -53.57 -50.93 64.51 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.71 -0.619 . . . . 10.0 109.8 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.8 m -55.28 -49.24 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.927 1.291 . . . . 10.0 111.133 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -57.43 -50.57 72.6 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.289 0.635 . . . . 10.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -61.72 -45.77 92.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.207 0.603 . . . . 10.0 110.953 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.87 -50.63 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.26 0.624 . . . . 10.0 110.002 171.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.38 -48.13 74.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.857 -0.527 . . . . 10.0 109.919 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.58 -41.59 77.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.42 -0.8 . . . . 10.0 112.347 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.55 -54.61 38.95 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.681 1.128 . . . . 10.0 109.021 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -53.86 -51.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 CA-C-O 118.624 -0.703 . . . . 10.0 109.774 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.62 -47.7 84.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 119.153 0.888 . . . . 10.0 111.45 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.62 98.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.976 -0.453 . . . . 10.0 111.015 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.23 -42.26 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.127 0.571 . . . . 10.0 110.569 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -150.78 88.79 4.49 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 126.77 2.028 . . . . 10.0 109.967 -168.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -53.04 114.89 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.71 2.274 . . . . 10.0 110.346 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -85.74 127.09 64.07 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 123.591 0.756 . . . . 10.0 109.303 -169.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.43 -48.3 19.32 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 124.097 3.198 . . . . 10.0 114.039 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -156.89 143.14 13.08 Favored Pre-proline 0 N--CA 1.456 -0.167 0 CA-C-O 117.459 -1.258 . . . . 10.0 107.638 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -42.75 -44.16 8.86 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.224 2.616 . . . . 10.0 113.659 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.44 -33.54 54.49 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.643 -0.661 . . . . 10.0 112.236 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.62 -25.42 60.09 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.4 0.68 . . . . 10.0 111.765 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.65 -17.67 16.07 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.24 -20.31 66.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.851 0.75 . . . . 10.0 112.769 173.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -64.81 144.79 57.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.141 0.882 . . . . 10.0 110.327 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -41.02 71.81 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.704 -0.622 . . . . 10.0 112.368 -171.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.58 -44.5 90.48 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.381 -0.824 . . . . 10.0 109.006 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.2 tpt -56.37 -48.02 77.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.039 0.535 . . . . 10.0 110.172 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.07 -43.31 73.79 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.122 0.969 . . . . 10.0 110.983 174.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.04 -42.14 97.92 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.671 -0.643 . . . . 10.0 110.76 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -43.19 96.72 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.524 -0.735 . . . . 10.0 110.191 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.71 -49.35 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 122.977 0.511 . . . . 10.0 109.917 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.15 76.8 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.996 0.518 . . . . 10.0 110.672 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -52.67 -51.35 60.6 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.664 0.386 . . . . 10.0 110.239 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.35 84.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.564 0.346 . . . . 10.0 111.026 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -54.29 -53.5 52.97 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.041 0.536 . . . . 10.0 110.281 174.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.65 -54.12 45.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.343 0.657 . . . . 10.0 110.564 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -45.28 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 122.789 0.436 . . . . 10.0 110.47 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.82 -46.54 78.07 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.827 0.739 . . . . 10.0 110.862 173.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -51.7 43.31 Favored Glycine 0 CA--C 1.533 1.183 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -53.77 -48.29 69.88 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.97 -0.723 . . . . 10.0 110.744 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.5 mmt -59.75 -45.17 93.06 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.453 -0.308 . . . . 10.0 111.308 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -55.63 -46.12 77.47 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.15 0.58 . . . . 10.0 110.269 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.5 -40.99 89.53 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.544 0.737 . . . . 10.0 111.319 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -71.76 -46.53 58.1 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.271 0.558 . . . . 10.0 111.838 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 113.42 2.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.911 1.285 . . . . 10.0 113.985 -169.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -61.62 -30.87 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.815 0.846 . . . . 10.0 112.747 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 m -140.57 157.22 45.79 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.633 1.173 . . . . 10.0 109.868 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -55.58 -49.54 72.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.857 0.837 . . . . 10.0 110.736 175.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.31 -46.58 25.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.053 0.941 . . . . 10.0 110.993 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.55 -52.08 65.9 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -50.36 -48.42 55.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.477 1.111 . . . . 10.0 111.503 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -61.12 -53.02 62.24 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 121.626 -0.671 . . . . 10.0 110.947 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -52.11 -61.14 2.45 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.695 0.398 . . . . 10.0 111.777 -178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.351 0.3 OUTLIER -66.58 -27.34 67.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.745 -175.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.5 mt -65.56 -51.83 56.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.244 1.383 . . . . 10.0 110.639 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.69 -47.18 77.21 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.061 -0.399 . . . . 10.0 110.199 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.12 -43.38 95.66 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.029 0.532 . . . . 10.0 110.839 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -56.95 -51.98 67.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.462 -0.773 . . . . 10.0 110.014 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.77 -53.59 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.045 0.384 . . . . 10.0 110.162 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.14 -56.75 8.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.812 1.245 . . . . 10.0 109.593 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.15 -48.71 79.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.463 -0.78 . . . . 10.0 111.296 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.93 -55.59 13.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 119.218 0.917 . . . . 10.0 109.24 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.17 -54.68 27.76 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.83 -0.605 . . . . 10.0 110.324 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -51.44 -58.6 5.81 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.761 0.71 . . . . 10.0 111.656 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 124.774 1.23 . . . . 10.0 111.651 179.63 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -57.33 -47.4 81.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.988 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -44.13 95.25 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.62 -56.09 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.354 0.661 . . . . 10.0 109.584 173.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -66.28 -46.74 75.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.138 -0.351 . . . . 10.0 111.451 -173.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.38 -50.02 72.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.07 0.395 . . . . 10.0 110.017 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.4 tp -56.0 -51.89 66.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.975 0.91 . . . . 10.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.02 -54.92 41.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.471 0.653 . . . . 10.0 110.17 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.78 -43.28 80.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.891 1.276 . . . . 10.0 111.216 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.78 -52.44 40.8 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.695 0.798 . . . . 10.0 110.691 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.73 -51.7 61.0 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.9 mtt -49.42 -38.41 29.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.992 0.517 . . . . 10.0 112.306 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.7 m -66.46 -15.83 63.65 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 45.8 m -49.73 -47.85 50.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.597 1.09 . . . . 10.0 111.51 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.21 -39.72 79.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.172 0.442 . . . . 10.0 112.006 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 CA--C 1.528 0.113 0 O-C-N 122.014 -0.429 . . . . 10.0 109.984 176.25 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 121.049 0.452 . . . . 10.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.1 -66.12 1.87 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.718 -1.239 . . . . 10.0 110.666 -172.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -69.46 -19.54 63.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.603 1.161 . . . . 10.0 112.862 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -42.75 -42.86 3.71 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 125.893 1.677 . . . . 10.0 113.377 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.86 -32.07 5.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.93 1.292 . . . . 10.0 113.054 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -74.23 -28.93 61.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.038 0.535 . . . . 10.0 112.045 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.9 t -118.6 92.38 2.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 124.19 0.996 . . . . 10.0 110.775 -169.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -80.85 165.74 21.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.052 1.741 . . . . 10.0 111.526 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -48.86 -41.41 33.09 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.498 1.119 . . . . 10.0 112.144 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -58.76 4.55 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.25 1.02 . . . . 10.0 110.47 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -51.44 -49.76 61.08 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.666 0.666 . . . . 10.0 110.736 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 t -61.18 -46.83 88.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.821 0.848 . . . . 10.0 110.413 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -55.2 -48.83 73.27 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.07 -47.85 84.14 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 10.0 111.083 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.8 t -49.25 -50.42 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 119.064 0.847 . . . . 10.0 110.448 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -55.66 -49.6 72.49 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.661 -0.649 . . . . 10.0 110.478 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.73 -39.93 68.75 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.696 -0.668 . . . . 10.0 111.756 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -57.86 -53.08 62.31 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 119.509 1.05 . . . . 10.0 109.728 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.56 -51.2 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 119.093 -0.48 . . . . 10.0 109.741 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -57.46 -49.65 75.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.482 0.583 . . . . 10.0 111.908 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.23 99.26 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.478 0.711 . . . . 10.0 110.691 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.82 -49.28 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.292 0.637 . . . . 10.0 109.798 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -159.35 99.21 1.57 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.242 1.417 . . . . 10.0 110.276 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -56.03 128.95 32.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.439 2.759 . . . . 10.0 112.224 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.9 p -93.16 119.22 67.75 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-O 118.037 -0.982 . . . . 10.0 110.648 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.45 -37.08 61.03 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.412 2.741 . . . . 10.0 114.584 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -151.88 135.66 9.66 Favored Pre-proline 0 C--N 1.341 0.213 0 CA-C-O 117.788 -1.101 . . . . 10.0 109.361 -175.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -42.74 -45.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.793 2.995 . . . . 10.0 113.857 171.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.0 -34.31 55.72 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.575 -0.703 . . . . 10.0 112.054 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.35 51.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.267 0.627 . . . . 10.0 111.655 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.71 -25.89 20.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.274 0.63 . . . . 10.0 112.251 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.99 -20.37 65.02 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.52 138.89 57.96 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.89 0.768 . . . . 10.0 110.727 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -56.85 -30.08 63.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -80.24 -41.03 25.87 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.432 0.56 . . . . 10.0 110.496 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.8 mmm -59.78 -43.37 94.42 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.443 -0.786 . . . . 10.0 110.87 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -51.0 -36.9 41.76 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.844 0.458 . . . . 10.0 110.562 171.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.733 -0.604 . . . . 10.0 111.536 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.65 -47.18 84.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.43 -53.74 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.487 1.115 . . . . 10.0 109.19 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.49 -49.26 73.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.825 0.85 . . . . 10.0 110.851 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -54.62 -52.46 62.15 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 122.614 0.365 . . . . 10.0 110.414 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.92 87.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.619 0.768 . . . . 10.0 111.027 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.57 -54.4 46.4 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.458 0.572 . . . . 10.0 110.235 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -52.55 -55.39 22.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.808 0.843 . . . . 10.0 110.833 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -48.49 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.856 0.862 . . . . 10.0 110.45 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.25 -47.82 77.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.393 0.997 . . . . 10.0 110.736 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.12 -55.6 25.4 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -48.95 -51.1 32.26 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.866 0.867 . . . . 10.0 110.881 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.8 mmt -62.03 -44.79 95.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.777 -0.63 . . . . 10.0 111.204 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.37 -49.11 70.6 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.029 0.832 . . . . 10.0 110.023 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.97 -35.24 74.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -73.12 -38.7 66.22 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.627 -0.671 . . . . 10.0 112.18 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 108.93 3.44 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.549 1.139 . . . . 10.0 113.371 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -58.24 -36.9 73.89 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.187 0.595 . . . . 10.0 112.182 174.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.0 t -131.79 155.71 47.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.612 1.565 . . . . 10.0 110.156 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -50.47 -39.92 49.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.263 1.425 . . . . 10.0 109.707 169.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.35 -48.54 76.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.995 0.426 . . . . 10.0 110.045 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.51 -51.0 69.15 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -45.89 -53.36 9.95 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.152 0.981 . . . . 10.0 111.662 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.5 -54.3 48.19 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.772 -0.58 . . . . 10.0 111.198 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.19 -60.38 3.36 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.313 0.3 OUTLIER -68.08 -25.67 65.45 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.543 -0.741 . . . . 10.0 112.646 -175.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.94 -54.47 34.04 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 120.202 1.365 . . . . 10.0 110.017 170.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.76 -47.13 74.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.069 -0.395 . . . . 10.0 110.346 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.092 -0.48 . . . . 10.0 111.11 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.93 -48.58 73.6 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 10.0 110.421 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.5 mt -54.64 -54.55 21.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.43 0.633 . . . . 10.0 109.406 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.22 -55.32 15.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.252 1.421 . . . . 10.0 108.795 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -46.51 -61.59 1.75 Allowed 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 124.658 1.183 . . . . 10.0 110.964 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.4 mt -49.33 -63.44 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 119.532 1.06 . . . . 10.0 109.618 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -66.01 -25.09 66.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 119.641 -0.823 . . . . 10.0 112.458 -171.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -65.9 0.95 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.062 0.846 . . . . 10.0 110.871 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 C--N 1.332 -0.156 0 C-N-CA 125.891 1.676 . . . . 10.0 111.713 179.418 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 121.255 0.55 . . . . 10.0 111.67 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -58.02 -41.91 84.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.456 0.703 . . . . 10.0 111.215 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -52.14 62.82 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 14.4 mm -52.78 -57.4 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.798 0.839 . . . . 10.0 109.775 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -65.69 -47.54 75.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.015 -0.517 . . . . 10.0 111.311 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.08 -45.72 86.67 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.014 0.824 . . . . 10.0 110.373 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.91 -50.21 73.23 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.261 0.482 . . . . 10.0 110.793 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.06 -51.09 69.1 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.506 0.67 . . . . 10.0 110.334 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.92 -30.96 69.53 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.92 1.288 . . . . 10.0 112.627 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 60.9 tp -46.48 -45.55 18.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.37 1.068 . . . . 10.0 110.909 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.39 -52.83 14.29 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.745 0.418 . . . . 10.0 109.974 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.8 mmt -47.34 -41.49 19.51 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.586 0.754 . . . . 10.0 111.43 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.9 m -57.9 -24.95 60.05 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 41.1 m -42.09 -44.14 3.51 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.487 1.04 . . . . 10.0 113.186 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -55.76 -34.52 65.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 -175.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 118.616 0.644 . . . . 10.0 110.973 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 106.58 -1.637 . . . . 10.0 106.58 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.34 -53.91 11.13 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.771 1.169 . . . . 10.0 111.662 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -62.27 -15.58 48.29 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.659 1.184 . . . . 10.0 113.711 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -59.35 -25.23 64.05 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.203 -0.936 . . . . 10.0 111.115 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -47.22 -36.19 8.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.601 1.16 . . . . 10.0 111.119 169.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -99.28 -51.02 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.738 1.215 . . . . 10.0 110.559 -177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -79.4 90.89 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.228 0.537 . . . . 10.0 111.104 -175.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -71.14 160.44 32.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.522 1.153 . . . . 10.0 112.971 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -52.14 -39.84 60.54 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.705 -1.134 . . . . 10.0 112.247 174.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -56.08 -48.22 76.53 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.576 0.75 . . . . 10.0 111.517 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.95 -49.26 78.16 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.626 -0.671 . . . . 10.0 109.608 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -51.74 -46.8 64.15 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -58.42 -48.77 79.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.605 1.162 . . . . 10.0 111.374 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -63.25 -39.03 93.44 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.675 -0.64 . . . . 10.0 110.4 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.12 -46.34 89.48 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.047 -1.033 . . . . 10.0 110.865 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -50.99 -51.63 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 121.312 -0.868 . . . . 10.0 110.212 169.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.83 -47.32 64.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.693 -0.67 . . . . 10.0 111.353 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -57.76 -46.66 84.22 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.447 0.699 . . . . 10.0 111.341 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -51.24 -52.53 43.86 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -55.06 -53.03 38.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.885 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -54.1 -50.2 67.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.695 1.134 . . . . 10.0 111.856 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -36.67 84.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.978 0.511 . . . . 10.0 111.499 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.2 mt -74.35 -53.09 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 121.322 0.582 . . . . 10.0 109.693 173.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -137.36 103.18 8.73 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 128.038 2.535 . . . . 10.0 109.878 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.4 107.12 1.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.514 2.143 . . . . 10.0 109.793 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 m -74.49 133.46 77.22 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 -173.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -65.88 -40.64 16.07 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.421 2.081 . . . . 10.0 112.124 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -151.09 140.55 13.84 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 117.417 -1.278 . . . . 10.0 108.059 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -41.59 -45.5 6.3 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.59 2.86 . . . . 10.0 113.979 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.54 62.78 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.608 -0.683 . . . . 10.0 112.004 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -21.74 60.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.527 0.731 . . . . 10.0 112.063 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.44 -26.87 44.53 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.82 0.736 . . . . 10.0 111.76 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -15.68 63.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.32 133.09 54.62 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.363 -0.836 . . . . 10.0 110.09 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -54.15 -24.82 19.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.153 0.981 . . . . 10.0 113.532 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -71.2 -48.91 48.64 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.557 0.617 . . . . 10.0 110.235 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.99 -39.08 87.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.656 0.782 . . . . 10.0 110.822 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -40.26 -39.95 1.04 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.581 1.552 . . . . 10.0 112.348 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -64.11 -50.82 66.78 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.634 0.774 . . . . 10.0 111.326 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.56 -42.63 99.67 Favored 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.12 -52.75 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.069 0.547 . . . . 10.0 109.891 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.69 71.0 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.241 0.616 . . . . 10.0 110.994 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.56 -52.32 62.47 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.384 -0.197 . . . . 10.0 110.546 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.37 80.7 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.578 0.751 . . . . 10.0 111.233 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.14 -53.64 54.7 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.002 0.521 . . . . 10.0 110.722 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -53.79 -55.31 27.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.414 0.686 . . . . 10.0 110.383 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -44.47 98.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.255 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.73 -45.91 77.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.388 -0.82 . . . . 10.0 110.826 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -54.37 28.35 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.089 -0.805 . . . . 10.0 111.089 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.09 -49.79 59.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.027 0.531 . . . . 10.0 111.121 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -61.16 -42.37 98.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.281 -0.39 . . . . 10.0 111.349 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.73 -49.68 75.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.471 0.578 . . . . 10.0 110.29 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.99 -41.79 99.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 111.589 0.218 . . . . 10.0 111.589 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 m -63.08 -43.19 99.21 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.655 0.74 . . . . 10.0 111.845 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 107.14 2.38 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.383 1.087 . . . . 10.0 112.73 -169.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.812 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -149.6 164.19 35.82 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.879 0.871 . . . . 10.0 110.733 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -55.37 -48.81 73.72 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.902 1.681 . . . . 10.0 110.816 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -49.46 -53.56 22.4 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.038 0.535 . . . . 10.0 110.843 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -55.83 -51.5 67.29 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 123.059 0.543 . . . . 10.0 110.157 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -49.46 -52.16 30.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.536 0.607 . . . . 10.0 112.343 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -58.02 -51.81 68.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.995 -0.44 . . . . 10.0 110.616 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -54.47 -60.87 2.76 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -66.07 -30.64 71.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.279 0.945 . . . . 10.0 112.971 -175.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.92 -52.69 47.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.836 1.198 . . . . 10.0 110.923 171.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.06 71.79 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.78 -45.69 91.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.664 0.786 . . . . 10.0 110.72 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -55.26 -54.29 45.28 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.817 0.735 . . . . 10.0 110.248 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.9 mt -50.4 -53.94 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.402 0.62 . . . . 10.0 110.453 174.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.28 -51.49 64.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.694 1.198 . . . . 10.0 110.61 -175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -56.02 -51.16 68.76 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.494 0.718 . . . . 10.0 111.394 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.75 -52.33 17.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -62.39 -46.01 90.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.52 1.054 . . . . 10.0 112.138 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -56.37 -41.32 76.01 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.755 -1.215 . . . . 10.0 111.563 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 123.342 0.657 . . . . 10.0 111.571 177.866 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 116.193 1.923 . . . . 10.0 116.193 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -52.39 -54.23 34.68 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.522 0.729 . . . . 10.0 110.531 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -47.85 83.71 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.89 -44.23 48.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 122.987 0.515 . . . . 10.0 110.871 -175.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -72.23 -48.51 42.3 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.852 -0.53 . . . . 10.0 112.056 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.5 -45.45 81.02 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.496 0.589 . . . . 10.0 111.5 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 52.1 tp -47.44 -58.0 4.69 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.534 2.334 . . . . 10.0 110.5 172.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.91 -54.71 43.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.024 0.53 . . . . 10.0 110.321 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.38 -44.42 76.08 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.599 1.16 . . . . 10.0 111.402 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.31 -52.45 65.3 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.922 0.889 . . . . 10.0 110.027 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.17 -50.32 74.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 22.0 mmt -50.34 -42.97 53.86 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.264 0.484 . . . . 10.0 111.88 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 69.3 m -65.16 -36.35 83.96 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -174.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -19.74 -63.23 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -169.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.68 -38.02 31.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.733 1.151 . . . . 10.0 113.627 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.843 -0.535 . . . . 10.0 110.346 178.042 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 106.444 -1.687 . . . . 10.0 106.444 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.3 -46.72 28.27 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 118.735 0.698 . . . . 10.0 111.925 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -60.93 -12.56 11.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -57.35 -30.01 64.48 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.069 0.849 . . . . 10.0 111.401 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.93 -35.84 6.96 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.356 1.062 . . . . 10.0 111.402 170.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -100.37 -39.48 7.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.876 1.27 . . . . 10.0 111.081 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -91.31 89.9 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.554 0.692 . . . . 10.0 110.011 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -71.95 160.29 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.885 0.85 . . . . 10.0 111.395 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -51.66 -39.08 57.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.738 0.815 . . . . 10.0 111.341 174.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.04 -56.77 9.46 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.28 1.032 . . . . 10.0 110.432 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.25 -45.54 94.11 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -53.88 -49.95 67.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.548 0.613 . . . . 10.0 111.004 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 t -60.99 -45.4 94.98 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.989 0.915 . . . . 10.0 110.247 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -57.52 -50.26 73.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.68 -44.98 82.0 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.098 0.559 . . . . 10.0 111.078 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.8 t -50.49 -51.27 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 119.436 1.016 . . . . 10.0 110.761 170.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.21 -50.31 69.74 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.464 -0.772 . . . . 10.0 110.483 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -51.59 -44.19 62.74 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 118.658 -0.687 . . . . 10.0 111.133 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.3 mt -53.14 -56.67 14.54 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.993 0.815 . . . . 10.0 109.155 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -53.63 -59.83 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-O 118.528 -0.749 . . . . 10.0 110.459 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.59 -37.42 86.15 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.535 1.061 . . . . 10.0 112.507 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.14 86.86 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.304 -0.873 . . . . 10.0 110.589 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.5 mt -68.66 -47.1 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.95 0.5 . . . . 10.0 110.304 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -146.72 91.75 5.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 127.175 2.19 . . . . 10.0 108.788 -169.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.68 119.98 4.22 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.7 2.933 . . . . 10.0 112.95 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.2 p -72.68 121.12 84.12 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-O 117.712 -1.137 . . . . 10.0 110.047 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.12 -45.3 42.0 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.719 2.279 . . . . 10.0 112.783 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -165.63 148.47 6.71 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.466 -1.254 . . . . 10.0 107.741 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.52 -43.79 17.57 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.862 2.375 . . . . 10.0 113.179 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.11 37.02 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.668 -0.645 . . . . 10.0 112.684 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.53 -25.02 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.795 -0.566 . . . . 10.0 111.762 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.1 mt -54.46 -31.53 55.8 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -170.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.28 -20.38 65.63 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.86 131.92 36.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 118.688 0.676 . . . . 10.0 109.606 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -53.41 -47.67 69.37 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.684 0.674 . . . . 10.0 112.677 -172.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.1 -49.64 76.86 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.628 -0.67 . . . . 10.0 109.611 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.7 ttm -58.69 -46.43 87.27 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.838 -0.165 . . . . 10.0 110.626 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.83 -46.99 68.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.551 1.54 . . . . 10.0 110.472 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -61.12 -42.83 99.24 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.897 -0.502 . . . . 10.0 110.516 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -64.81 -39.32 93.4 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.713 -0.617 . . . . 10.0 110.977 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.49 -50.83 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 124.764 1.226 . . . . 10.0 109.053 172.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.62 76.64 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.02 -0.425 . . . . 10.0 110.716 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.66 -53.38 52.77 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 122.763 0.425 . . . . 10.0 110.135 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.38 77.84 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.339 0.656 . . . . 10.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -56.98 -52.82 63.72 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.193 0.451 . . . . 10.0 110.471 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -54.48 -53.68 51.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.391 0.676 . . . . 10.0 110.476 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.53 -51.3 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.977 0.911 . . . . 10.0 110.16 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -53.58 -46.99 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.294 0.952 . . . . 10.0 110.476 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.42 -58.59 10.64 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.624 -0.99 . . . . 10.0 110.624 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.99 -51.52 41.02 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.387 0.675 . . . . 10.0 111.102 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 mmt -57.59 -43.37 84.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.962 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.71 -52.72 64.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 117.907 0.321 . . . . 10.0 110.406 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.17 -40.99 95.98 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.109 -0.369 . . . . 10.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -63.95 -49.02 74.2 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.136 0.574 . . . . 10.0 111.497 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 111.83 3.78 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 122.042 0.925 . . . . 10.0 112.969 -169.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -55.61 -32.8 63.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.523 0.729 . . . . 10.0 112.512 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -155.05 154.4 32.41 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.502 -0.749 . . . . 10.0 110.561 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -48.63 -45.35 38.27 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.438 1.495 . . . . 10.0 112.535 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.29 -49.32 64.39 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.594 0.757 . . . . 10.0 111.318 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.47 -48.24 78.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -50.95 -52.49 41.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.249 0.62 . . . . 10.0 111.918 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.01 -51.17 70.31 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.8 -0.562 . . . . 10.0 110.324 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -53.74 -63.13 1.25 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.507 0.558 . . . . 10.0 112.507 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -65.08 -29.19 70.04 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.83 0.741 . . . . 10.0 112.588 -174.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.09 -54.69 30.11 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.567 1.076 . . . . 10.0 110.488 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.9 -46.39 71.41 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.05 -47.6 80.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.138 0.575 . . . . 10.0 110.842 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -58.84 -47.72 83.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.559 -0.713 . . . . 10.0 110.529 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 87.3 mt -53.13 -53.96 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 173.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -52.66 29.26 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.209 1.403 . . . . 10.0 109.42 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -56.31 -58.65 7.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 117.951 -1.024 . . . . 10.0 111.853 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.71 -56.93 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 119.636 1.107 . . . . 10.0 109.188 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.09 -56.48 14.15 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 118.449 -0.786 . . . . 10.0 111.474 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -56.43 -56.88 15.69 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.184 1.356 . . . . 10.0 112.354 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 125.204 1.402 . . . . 10.0 109.548 -178.895 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 115.616 1.71 . . . . 10.0 115.616 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -56.58 -47.32 79.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.814 0.446 . . . . 10.0 110.884 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -43.46 98.79 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -58.81 -56.52 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 121.349 0.595 . . . . 10.0 109.573 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -67.27 -44.79 78.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.223 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -56.15 -47.68 77.73 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.73 -49.58 76.07 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.899 0.318 . . . . 10.0 111.2 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.1 -57.95 10.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.522 0.677 . . . . 10.0 110.208 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.4 tp -53.37 -44.98 69.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.047 1.339 . . . . 10.0 110.952 -173.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -47.85 -54.99 10.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.532 1.133 . . . . 10.0 110.14 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.78 -52.18 40.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.3 mmt -45.39 -40.45 8.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.016 0.526 . . . . 10.0 112.356 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -65.14 -24.66 67.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.097 1.147 . . . . 10.0 114.097 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.8 m -36.24 -59.33 0.63 Allowed 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 115.588 1.699 . . . . 10.0 115.588 -168.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -46.96 -41.16 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.69 1.586 . . . . 10.0 113.63 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 . . . . . 0 C--N 1.332 -0.17 0 C-N-CA 123.574 0.75 . . . . 10.0 109.292 179.764 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.22 10.64 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.34 0.495 . . . . 10.0 113.013 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -71.69 -28.26 63.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -52.43 -45.58 66.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.668 0.667 . . . . 10.0 110.288 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -35.66 -39.66 0.15 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 127.402 2.281 . . . . 10.0 113.29 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -92.24 -14.05 29.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.107 0.963 . . . . 10.0 112.443 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.71 107.78 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.866 0.866 . . . . 10.0 109.704 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -74.47 160.16 31.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.766 0.793 . . . . 10.0 112.604 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -54.31 -44.99 72.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.738 1.215 . . . . 10.0 110.511 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -60.65 -46.07 91.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.723 -0.611 . . . . 10.0 111.604 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.72 -48.28 81.72 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.198 0.908 . . . . 10.0 110.037 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -51.68 -48.7 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.388 0.275 . . . . 10.0 110.369 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -58.32 -46.95 85.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.393 0.677 . . . . 10.0 111.283 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -65.25 -43.71 90.49 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.766 -0.584 . . . . 10.0 110.546 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.85 -47.3 85.34 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.797 -0.565 . . . . 10.0 110.67 174.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 t -52.66 -44.8 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.8 0.84 . . . . 10.0 110.283 171.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.83 -48.85 78.56 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.151 -0.968 . . . . 10.0 110.468 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -51.39 -42.83 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.058 0.845 . . . . 10.0 111.218 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.11 -51.09 71.16 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.62 0.646 . . . . 10.0 111.233 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.9 t -53.29 -47.38 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.852 -0.594 . . . . 10.0 110.134 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.15 -47.93 77.27 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.066 0.848 . . . . 10.0 111.141 175.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.36 85.23 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.921 -0.487 . . . . 10.0 111.714 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.1 mt -70.31 -40.81 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.877 0.471 . . . . 10.0 110.352 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -162.19 95.15 1.24 Allowed Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 125.03 1.332 . . . . 10.0 109.37 -169.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.91 96.57 0.04 OUTLIER 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.343 3.362 . . . . 10.0 112.819 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.2 m -87.6 135.88 33.63 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 124.125 0.97 . . . . 10.0 108.503 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.47 -49.22 6.13 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.023 2.482 . . . . 10.0 113.93 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.31 141.65 21.75 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-O 117.649 -1.167 . . . . 10.0 108.72 -170.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -40.9 -46.79 4.93 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.529 2.82 . . . . 10.0 113.9 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.79 -38.43 61.13 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.665 -0.647 . . . . 10.0 111.823 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.81 -17.18 62.84 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.034 0.534 . . . . 10.0 111.959 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.87 -27.17 67.93 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.953 0.797 . . . . 10.0 111.187 171.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.4 49.37 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.516 0.726 . . . . 10.0 111.272 -173.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.4 147.17 51.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.103 1.361 . . . . 10.0 110.784 -171.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -47.7 63.7 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.564 1.546 . . . . 10.0 111.964 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -65.52 -57.84 7.25 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 108.499 -0.926 . . . . 10.0 108.499 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.4 mmm -51.42 -39.03 56.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.685 0.794 . . . . 10.0 112.812 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -39.46 -42.86 1.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.688 1.195 . . . . 10.0 111.909 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -66.04 -47.22 75.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 123.341 0.656 . . . . 10.0 110.677 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.46 -45.53 90.4 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -52.95 -53.06 23.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 123.539 0.735 . . . . 10.0 109.363 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -52.03 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.432 0.693 . . . . 10.0 110.966 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.7 -49.93 66.98 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.921 0.328 . . . . 10.0 110.621 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.02 91.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.593 0.357 . . . . 10.0 110.954 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.69 -50.24 73.86 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.143 -0.348 . . . . 10.0 110.502 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.02 -55.74 27.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.458 0.703 . . . . 10.0 110.746 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -47.18 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.81 -34.89 75.22 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.241 -0.912 . . . . 10.0 111.498 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.17 -55.39 26.55 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.078 -1.209 . . . . 10.0 110.078 170.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -51.21 -47.59 62.26 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.097 0.449 . . . . 10.0 110.814 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 mmt -58.61 -43.82 89.73 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 111.769 0.285 . . . . 10.0 111.769 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -62.75 -39.21 93.41 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.458 1.103 . . . . 10.0 110.455 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.6 -46.09 70.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.372 0.669 . . . . 10.0 111.25 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -69.51 -53.26 19.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.821 0.849 . . . . 10.0 111.783 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 123.94 18.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.67 0.788 . . . . 10.0 110.721 -175.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -106.08 23.57 13.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.039 0.536 . . . . 10.0 110.939 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.1 p -161.62 157.82 25.21 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 169.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -64.31 -47.41 79.54 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.255 0.55 . . . . 10.0 109.956 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.3 -45.75 65.68 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.342 0.657 . . . . 10.0 111.192 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.5 -48.72 80.55 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.143 0.883 . . . . 10.0 110.075 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -52.86 -48.66 66.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.643 0.377 . . . . 10.0 111.349 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -58.33 -51.64 68.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.965 -0.459 . . . . 10.0 111.011 172.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -53.83 -60.63 3.07 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.668 0.387 . . . . 10.0 111.791 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -67.17 -31.28 71.6 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.774 0.715 . . . . 10.0 112.875 -175.622 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -65.75 -50.42 64.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.96 1.255 . . . . 10.0 110.677 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.56 75.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.787 0.435 . . . . 10.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.34 -43.4 96.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.104 0.561 . . . . 10.0 110.677 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.66 -47.74 83.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.769 -0.582 . . . . 10.0 110.167 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 23.5 mt -55.21 -51.59 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 121.741 -0.599 . . . . 10.0 110.73 173.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -51.99 53.32 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.652 1.181 . . . . 10.0 108.819 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -55.32 -59.47 4.75 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.308 1.043 . . . . 10.0 111.328 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.8 mt -43.97 -61.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 123.884 0.874 . . . . 10.0 109.692 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.03 -53.57 54.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.414 -0.327 . . . . 10.0 111.22 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -55.22 -54.6 41.32 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 118.855 0.752 . . . . 10.0 112.536 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.45 -0.469 0 C-N-CA 124.081 0.952 . . . . 10.0 109.669 178.355 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -54.02 -51.44 64.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.807 0.843 . . . . 10.0 111.195 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -29.45 61.64 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 119.201 -0.428 . . . . 10.0 110.77 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.15 -57.25 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.17 -45.83 75.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.897 -170.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.55 -49.97 69.05 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.216 0.462 . . . . 10.0 110.136 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 58.5 tp -57.49 -53.78 54.31 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.453 0.301 . . . . 10.0 111.104 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.98 -53.17 61.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.405 0.682 . . . . 10.0 110.103 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.6 -43.77 89.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.941 1.297 . . . . 10.0 111.128 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.42 -50.77 59.06 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.019 0.528 . . . . 10.0 110.538 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.12 -53.39 54.24 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mtt -50.85 -36.87 39.87 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 122.791 0.436 . . . . 10.0 111.93 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.7 m -72.47 -9.82 59.01 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.385 1.254 . . . . 10.0 114.385 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -48.54 -51.83 25.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.57 1.532 . . . . 10.0 113.868 -169.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.04 -36.24 67.8 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 120.756 -1.215 . . . . 10.0 112.48 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 177.899 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 tptp . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.491 0.186 . . . . 10.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.56 -66.0 2.04 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.742 -1.343 . . . . 10.0 109.742 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -70.61 -9.74 57.65 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.235 1.014 . . . . 10.0 113.469 -177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -57.71 -37.05 72.84 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.7 1.2 . . . . 10.0 109.895 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -29.93 -46.28 0.06 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 128.785 2.834 . . . . 10.0 114.909 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -112.94 18.79 17.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.626 0.77 . . . . 10.0 112.862 -173.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.11 95.75 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.937 0.895 . . . . 10.0 109.325 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -86.69 164.24 16.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.538 1.135 . . . . 10.0 111.63 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -49.61 -45.22 47.87 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 123.798 0.839 . . . . 10.0 111.413 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.76 -46.8 71.04 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.222 0.464 . . . . 10.0 111.122 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.89 -48.77 77.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -53.39 -50.28 65.47 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 10.0 110.316 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.6 m -54.1 -49.79 68.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.512 1.525 . . . . 10.0 110.553 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -60.56 -52.38 65.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -52.99 -48.99 67.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.368 0.667 . . . . 10.0 110.423 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.06 -50.38 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.633 -0.667 . . . . 10.0 110.905 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . 0.303 0.5 OUTLIER -64.68 -26.69 68.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 120.179 1.354 . . . . 10.0 113.423 176.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -62.52 -45.47 92.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 119.425 1.012 . . . . 10.0 109.179 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.57 -54.24 48.22 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.933 -0.479 . . . . 10.0 110.6 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.99 -54.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.276 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.75 -35.24 79.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.128 0.876 . . . . 10.0 111.986 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.25 86.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.321 0.509 . . . . 10.0 111.405 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.75 -60.38 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.524 0.678 . . . . 10.0 109.277 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.12 98.83 20.52 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 127.435 2.294 . . . . 10.0 108.283 -169.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.72 85.01 0.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.939 2.426 . . . . 10.0 110.034 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 m -67.88 124.63 89.93 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 124.988 1.315 . . . . 10.0 111.422 -169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.67 -51.09 11.92 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 125.022 3.815 . . . . 10.0 116.207 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.89 142.94 17.1 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 117.801 -1.095 . . . . 10.0 110.685 -169.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.06 -43.91 9.59 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.72 2.946 . . . . 10.0 114.013 170.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -34.49 58.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.614 -0.679 . . . . 10.0 111.946 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -26.3 61.13 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.105 0.562 . . . . 10.0 111.48 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.62 -17.74 35.87 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.05 -22.89 67.04 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.68 0.673 . . . . 10.0 112.241 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.64 135.99 57.17 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.047 0.84 . . . . 10.0 110.927 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -50.96 69.55 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.645 0.778 . . . . 10.0 112.659 -177.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.7 -45.32 94.66 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.819 -0.551 . . . . 10.0 109.545 -178.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 40.6 tpp -59.2 -44.47 92.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.278 -0.264 . . . . 10.0 110.671 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.62 -39.97 78.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.147 0.885 . . . . 10.0 110.491 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -41.56 96.86 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.725 -0.609 . . . . 10.0 110.855 173.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.01 -43.09 88.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.829 0.452 . . . . 10.0 110.319 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -55.03 -50.22 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 124.11 0.964 . . . . 10.0 109.075 171.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.24 78.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.085 0.402 . . . . 10.0 111.051 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.19 -49.64 68.9 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.014 -0.429 . . . . 10.0 110.819 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.44 96.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.057 -0.402 . . . . 10.0 110.933 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -55.8 -50.91 69.22 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.005 -0.435 . . . . 10.0 110.04 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -54.05 -55.18 29.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.183 0.593 . . . . 10.0 110.438 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -44.01 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 119.115 -0.469 . . . . 10.0 110.995 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.3 -47.04 69.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.32 0.964 . . . . 10.0 110.701 171.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.74 -52.64 40.97 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.43 -0.668 . . . . 10.0 111.43 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -51.87 -49.62 62.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.308 0.643 . . . . 10.0 110.456 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 mmt -59.93 -46.76 88.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.27 -0.395 . . . . 10.0 111.297 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -53.33 -51.56 62.01 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.055 0.542 . . . . 10.0 110.229 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -61.56 -43.63 98.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.216 0.606 . . . . 10.0 111.072 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 m -64.97 -41.65 95.26 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.283 0.563 . . . . 10.0 112.152 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 99.63 6.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.165 0.986 . . . . 10.0 112.891 -169.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 47.73 0.84 Allowed 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.449 -1.407 . . . . 10.0 110.91 170.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t 173.34 145.85 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.665 1.986 . . . . 10.0 108.8 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.79 -39.85 93.14 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.013 0.525 . . . . 10.0 110.541 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.0 -44.19 97.78 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.61 -50.32 73.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -50.22 -50.08 50.79 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.914 0.886 . . . . 10.0 111.049 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.44 -54.18 48.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.043 -0.411 . . . . 10.0 110.851 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -54.52 -60.39 3.42 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -176.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.345 0.4 OUTLIER -66.45 -30.77 71.2 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.389 -0.819 . . . . 10.0 112.769 -176.036 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.34 -46.89 75.26 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.796 1.18 . . . . 10.0 110.765 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.19 81.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.856 -0.528 . . . . 10.0 109.971 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -57.88 -49.59 76.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.444 0.697 . . . . 10.0 110.448 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -53.22 -50.79 63.99 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 23.5 mt -55.19 -46.91 77.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.003 0.521 . . . . 10.0 111.669 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.59 -57.7 10.39 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.767 0.827 . . . . 10.0 109.058 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -53.51 -52.91 58.08 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.973 -0.537 . . . . 10.0 111.207 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.0 mt -47.79 -63.37 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -53.1 -44.44 67.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.992 -0.528 . . . . 10.0 111.054 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -56.97 12.75 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.112 0.869 . . . . 10.0 111.64 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 123.686 0.794 . . . . 10.0 111.22 179.076 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -54.35 -50.85 66.49 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.833 0.853 . . . . 10.0 112.072 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -42.62 97.77 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.749 0.82 . . . . 10.0 109.507 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.77 -54.29 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.58 -50.14 68.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.124 -0.36 . . . . 10.0 110.425 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -54.05 -47.04 72.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.492 0.317 . . . . 10.0 110.422 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.52 -51.16 71.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.448 0.567 . . . . 10.0 111.031 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.06 -50.2 67.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.244 0.545 . . . . 10.0 109.891 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.03 -40.13 92.44 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.722 1.209 . . . . 10.0 111.974 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.08 -44.43 64.36 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.221 1.008 . . . . 10.0 111.845 -172.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.53 -48.32 70.1 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 121.813 -0.554 . . . . 10.0 110.122 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 42.9 mtt -53.48 -43.98 68.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.497 0.665 . . . . 10.0 109.881 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -60.41 -8.71 2.86 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.11 1.364 . . . . 10.0 113.972 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 71.9 m -49.41 -47.79 47.67 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 121.539 1.972 . . . . 10.0 111.958 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.96 -37.17 78.8 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.525 -0.735 . . . . 10.0 111.167 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.9 t30 . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 123.054 0.542 . . . . 10.0 110.45 173.289 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 111.734 0.272 . . . . 10.0 111.734 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.96 -61.92 3.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.065 -1.214 . . . . 10.0 110.065 -170.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -65.91 -31.49 72.45 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.382 0.673 . . . . 10.0 111.841 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -38.61 -55.19 1.47 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.315 1.846 . . . . 10.0 112.574 -172.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.94 -25.17 68.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.797 1.239 . . . . 10.0 112.873 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.45 -19.4 62.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.887 0.475 . . . . 10.0 110.725 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.0 t -102.48 102.93 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -67.68 161.33 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.315 0.646 . . . . 10.0 111.848 -174.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -53.34 -43.32 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.489 170.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.97 -45.66 91.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.231 -0.414 . . . . 10.0 110.655 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.16 -45.45 93.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.01 0.823 . . . . 10.0 111.021 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -53.44 -49.36 67.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.499 -0.75 . . . . 10.0 109.706 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -56.44 -48.11 77.69 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.035 0.934 . . . . 10.0 111.545 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.13 -44.41 94.94 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.347 1.059 . . . . 10.0 109.914 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.93 -47.44 80.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.739 -0.601 . . . . 10.0 110.428 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -49.84 -51.34 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 118.906 0.776 . . . . 10.0 110.404 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -53.07 -52.21 59.29 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.765 -0.585 . . . . 10.0 110.628 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -52.97 -42.1 65.19 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.754 0.707 . . . . 10.0 112.055 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.44 -52.19 66.37 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.44 1.018 . . . . 10.0 109.561 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.6 t -53.88 -50.86 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.727 -0.654 . . . . 10.0 110.025 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -58.48 -47.16 84.97 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.734 0.697 . . . . 10.0 112.002 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.52 98.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.573 0.749 . . . . 10.0 110.408 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.24 -62.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.619 -0.882 . . . . 10.0 108.619 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -130.55 98.88 19.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 127.256 2.222 . . . . 10.0 109.868 -169.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.23 107.34 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 121.678 1.585 . . . . 10.0 109.945 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -68.32 137.84 91.54 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-O 118.911 -0.566 . . . . 10.0 110.273 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.68 -38.81 37.53 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.21 2.606 . . . . 10.0 112.764 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -151.06 138.06 11.78 Favored Pre-proline 0 N--CA 1.452 -0.345 0 N-CA-C 107.442 -1.318 . . . . 10.0 107.442 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -45.69 -39.75 18.37 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.244 2.629 . . . . 10.0 112.963 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.92 18.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.421 0.688 . . . . 10.0 112.736 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.48 -13.36 62.09 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.784 0.833 . . . . 10.0 112.579 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.6 mt -54.93 -37.48 66.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.123 0.874 . . . . 10.0 112.083 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -78.92 56.52 1.96 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.737 -0.602 . . . . 10.0 111.571 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -126.89 145.45 50.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.174 1.39 . . . . 10.0 110.095 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -50.45 -42.53 54.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.009 1.324 . . . . 10.0 112.173 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.64 -56.54 6.22 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.5 mmm -51.44 -38.31 53.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.373 1.069 . . . . 10.0 112.713 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -43.64 -36.36 2.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.182 0.993 . . . . 10.0 112.733 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.36 -48.74 71.91 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.864 -0.523 . . . . 10.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.49 -43.86 96.04 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -54.8 -52.57 41.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.337 0.655 . . . . 10.0 109.69 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.9 -50.94 69.3 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.255 0.622 . . . . 10.0 110.897 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -54.4 -51.7 64.06 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 122.632 0.373 . . . . 10.0 110.488 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.55 82.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.219 0.608 . . . . 10.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.51 -53.24 59.79 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.309 0.504 . . . . 10.0 110.319 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -52.31 -55.06 23.95 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.37 0.668 . . . . 10.0 110.943 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.88 -46.57 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 122.916 0.487 . . . . 10.0 110.664 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.37 -47.57 81.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 119.152 0.887 . . . . 10.0 110.247 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.59 -55.8 20.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.565 -1.014 . . . . 10.0 110.565 174.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -49.99 -51.5 41.18 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.415 0.686 . . . . 10.0 110.997 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.7 mmt -61.83 -42.61 99.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.055 -0.497 . . . . 10.0 111.387 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -56.26 -48.76 75.92 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.693 0.678 . . . . 10.0 110.14 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -64.11 -35.48 80.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.363 0.665 . . . . 10.0 112.404 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.8 m -78.43 -46.74 19.05 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 117.17 4.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.181 1.392 . . . . 10.0 114.279 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 p30 -72.88 -8.26 54.77 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.508 1.123 . . . . 10.0 113.367 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -158.4 152.62 24.12 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.967 -1.124 . . . . 10.0 107.967 -174.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.1 -40.75 74.15 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.426 0.69 . . . . 10.0 110.09 170.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.58 -47.89 80.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.379 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -58.77 -52.6 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 176.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -47.08 -52.11 16.03 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.737 1.215 . . . . 10.0 111.551 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.93 -54.27 48.12 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.786 -0.571 . . . . 10.0 111.264 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -52.12 -62.66 1.5 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.253 0.621 . . . . 10.0 112.155 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.323 0.4 OUTLIER -65.68 -28.49 69.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.508 -0.758 . . . . 10.0 112.625 -175.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.36 -56.01 19.8 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 120.024 1.284 . . . . 10.0 110.183 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.8 70.44 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.291 -0.256 . . . . 10.0 110.584 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.08 -46.14 85.96 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.165 0.586 . . . . 10.0 110.949 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.94 -51.22 70.03 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.579 -0.701 . . . . 10.0 110.28 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.37 -54.39 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -50.05 -55.07 16.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 10.0 109.572 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -57.5 -52.11 66.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.258 0.623 . . . . 10.0 111.826 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.5 mt -50.0 -52.87 12.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -56.31 -58.5 7.71 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.505 0.593 . . . . 10.0 111.337 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -48.51 -49.48 35.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.733 0.813 . . . . 10.0 112.31 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 123.87 0.868 . . . . 10.0 111.32 -174.514 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 121.288 0.566 . . . . 10.0 110.55 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -47.81 -52.73 17.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.922 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -53.87 -56.58 16.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.51 1.524 . . . . 10.0 108.202 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -49.56 -53.16 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 122.996 0.519 . . . . 10.0 109.832 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -65.14 -58.19 6.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.635 -0.698 . . . . 10.0 111.777 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.69 -42.74 71.79 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.499 1.045 . . . . 10.0 110.825 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.21 -49.98 73.6 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.89 0.876 . . . . 10.0 111.124 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.22 -54.86 40.77 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.491 0.662 . . . . 10.0 109.663 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.94 -38.93 80.13 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.44 1.096 . . . . 10.0 111.669 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 57.8 tp -48.02 -50.98 25.86 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.435 0.694 . . . . 10.0 110.496 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.49 -53.26 20.02 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 26.0 mmt -48.29 -42.56 31.22 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.696 -0.627 . . . . 10.0 112.499 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.7 p -56.43 -23.88 41.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.889 0.876 . . . . 10.0 113.309 -175.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.9 m -51.51 -35.4 40.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.863 -0.589 . . . . 10.0 112.192 -173.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.1 -53.67 55.71 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.315 0.961 . . . . 10.0 111.091 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 O-C-N 121.89 -0.506 . . . . 10.0 109.648 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tptp . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 120.462 0.172 . . . . 10.0 110.943 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.52 -73.36 0.77 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -52.67 -24.85 9.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.763 1.225 . . . . 10.0 111.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.441 ' CG ' ' HH ' ' A' ' 55' ' ' TYR . 5.1 t60 -34.25 -44.85 0.2 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.251 1.82 . . . . 10.0 111.293 169.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.75 -33.69 10.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.852 1.261 . . . . 10.0 113.429 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -75.05 -18.39 60.32 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.584 1.154 . . . . 10.0 112.379 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.63 130.16 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.461 0.705 . . . . 10.0 111.875 -169.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -88.05 158.41 18.61 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.092 0.957 . . . . 10.0 111.123 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -57.77 -42.6 84.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.913 0.885 . . . . 10.0 108.97 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.04 -49.32 71.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.126 0.971 . . . . 10.0 110.173 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.7 -48.06 83.19 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.974 -0.536 . . . . 10.0 110.915 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -52.58 -50.6 62.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.48 1.036 . . . . 10.0 110.594 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.2 m -55.08 -52.2 63.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.116 0.966 . . . . 10.0 110.964 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -66.4 -31.34 72.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.726 0.811 . . . . 10.0 110.656 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -67.63 -50.78 56.37 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.924 -1.11 . . . . 10.0 110.383 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.51 -50.7 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 171.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -49.04 -51.63 30.04 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.555 -0.735 . . . . 10.0 110.835 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -40.48 72.98 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 119.088 0.858 . . . . 10.0 110.099 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.82 -58.16 9.01 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 174.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -54.32 -63.14 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -38.43 -50.18 1.5 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.697 2.799 . . . . 10.0 112.494 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.75 -54.08 18.13 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 122.035 -0.416 . . . . 10.0 110.671 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.88 -39.57 82.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 122.827 0.451 . . . . 10.0 110.48 -176.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -151.94 103.02 2.83 Favored Pre-proline 0 N--CA 1.449 -0.501 0 C-N-CA 127.359 2.264 . . . . 10.0 107.796 -169.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.3 125.11 12.97 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.549 1.499 . . . . 10.0 110.802 -173.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 p -69.9 118.94 68.08 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.698 1.199 . . . . 10.0 110.161 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.74 -43.38 59.73 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.659 2.239 . . . . 10.0 112.468 173.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -162.85 147.04 9.05 Favored Pre-proline 0 CA--C 1.53 0.183 0 N-CA-C 106.797 -1.557 . . . . 10.0 106.797 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.03 -44.54 14.96 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.819 2.346 . . . . 10.0 113.393 172.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.63 -31.48 62.34 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.614 -0.679 . . . . 10.0 112.18 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.57 -25.41 59.95 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.978 -0.451 . . . . 10.0 111.474 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.65 -18.65 32.46 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.43 0.559 . . . . 10.0 112.36 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -66.29 -21.05 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.641 0.655 . . . . 10.0 112.299 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.7 149.43 39.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.889 0.768 . . . . 10.0 110.912 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -63.63 -51.68 64.14 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.189 0.596 . . . . 10.0 112.207 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -59.78 -44.77 93.74 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -57.14 -53.05 62.45 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.791 -0.623 . . . . 10.0 110.511 174.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.13 -40.85 67.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.227 0.921 . . . . 10.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -62.25 -46.18 90.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.826 -0.546 . . . . 10.0 110.902 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.3 -38.99 93.02 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.436 -0.79 . . . . 10.0 110.973 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.32 -48.84 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.254 1.422 . . . . 10.0 109.086 172.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.75 80.27 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.951 -0.468 . . . . 10.0 110.543 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.71 -50.75 67.55 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.386 -0.196 . . . . 10.0 110.476 174.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.9 -47.88 76.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.924 0.489 . . . . 10.0 111.187 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.18 -53.06 61.63 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.197 0.599 . . . . 10.0 110.52 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -52.6 -56.78 12.92 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.483 0.713 . . . . 10.0 110.332 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -42.65 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -57.39 -48.15 79.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.97 0.804 . . . . 10.0 110.207 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.56 -50.35 57.51 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.457 -0.657 . . . . 10.0 111.457 174.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.62 -50.85 64.81 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.164 -0.609 . . . . 10.0 110.658 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.12 -41.58 96.95 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 119.413 -0.327 . . . . 10.0 111.122 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.441 ' HH ' ' CG ' ' A' ' 7' ' ' HIS . 6.4 t80 -54.0 -51.24 64.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.975 0.51 . . . . 10.0 110.415 177.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -63.29 -40.33 97.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.085 0.554 . . . . 10.0 111.125 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 m -67.72 -42.92 81.15 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.926 -0.484 . . . . 10.0 112.186 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.25 121.01 19.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.715 1.206 . . . . 10.0 111.905 -169.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.68 22.85 5.87 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.679 -0.638 . . . . 10.0 110.373 173.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 t -165.63 148.97 7.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -53.31 -46.28 69.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.145 0.978 . . . . 10.0 109.278 169.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.24 -42.25 98.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.072 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.28 -53.44 57.65 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -46.53 -51.31 15.73 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.574 1.15 . . . . 10.0 111.325 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -56.05 -56.97 14.38 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.774 -0.579 . . . . 10.0 111.353 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.73 -58.19 8.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.325 0.4 OUTLIER -66.38 -28.02 68.32 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.643 -0.661 . . . . 10.0 112.169 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.18 -52.65 57.94 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 119.762 1.164 . . . . 10.0 110.387 169.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.16 -47.74 71.62 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.369 . . . . 10.0 110.593 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -57.58 -49.41 76.48 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.006 0.523 . . . . 10.0 110.787 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -54.64 -50.72 67.46 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.886 -0.509 . . . . 10.0 110.296 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.2 -51.07 42.98 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 175.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -55.5 16.21 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.629 0.772 . . . . 10.0 109.409 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -56.89 -50.08 73.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.006 -0.521 . . . . 10.0 111.808 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.03 -53.54 10.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.979 0.809 . . . . 10.0 109.57 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.67 -48.66 80.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.103 0.41 . . . . 10.0 110.525 -176.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -57.22 -55.84 29.57 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.787 0.435 . . . . 10.0 111.85 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 123.528 0.731 . . . . 10.0 111.635 -175.279 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 121.614 0.721 . . . . 10.0 111.333 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -61.54 -36.07 79.54 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.304 -0.862 . . . . 10.0 111.277 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -50.88 61.39 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.28 -51.47 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -66.18 -49.0 68.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 119.032 -0.509 . . . . 10.0 111.488 -173.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.16 -42.53 95.13 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.826 0.739 . . . . 10.0 110.015 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.13 -53.45 57.9 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.652 0.381 . . . . 10.0 110.501 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.62 -48.09 80.38 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.948 0.499 . . . . 10.0 110.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.86 -38.06 89.72 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.421 1.089 . . . . 10.0 112.109 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.4 -54.34 14.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.07 0.948 . . . . 10.0 110.644 -174.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -53.4 49.19 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 18.5 mmt -42.17 -48.52 4.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.678 1.191 . . . . 10.0 111.339 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.7 p -69.55 -9.45 54.03 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.36 1.245 . . . . 10.0 114.36 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.4 m -46.85 -55.64 7.63 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.801 1.037 . . . . 10.0 113.801 -169.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.09 -40.95 77.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.685 1.584 . . . . 10.0 112.221 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m120 . . . . . 0 C--N 1.333 -0.148 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 179.61 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 112.859 0.689 . . . . 10.0 112.859 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.34 -69.67 1.36 Allowed Glycine 0 CA--C 1.526 0.759 0 O-C-N 120.66 -1.275 . . . . 10.0 110.378 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -53.07 -35.97 60.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.09 0.956 . . . . 10.0 111.807 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -39.36 -39.57 0.68 Allowed 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.683 1.593 . . . . 10.0 112.548 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -49.94 -35.06 22.59 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.171 0.988 . . . . 10.0 113.276 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -104.27 15.44 28.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.16 88.46 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 124.063 0.945 . . . . 10.0 108.517 172.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 p -87.97 163.31 16.39 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.903 1.681 . . . . 10.0 111.916 -171.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -43.15 -43.92 4.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.04 1.736 . . . . 10.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.92 -44.58 89.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.772 -0.58 . . . . 10.0 111.448 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.78 -45.05 91.47 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -53.61 -46.58 70.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.008 -0.433 . . . . 10.0 110.501 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -58.05 -50.15 74.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.842 0.857 . . . . 10.0 111.194 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -63.9 -36.93 85.55 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.833 -0.542 . . . . 10.0 110.467 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.43 -48.31 78.31 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.075 -1.015 . . . . 10.0 110.77 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.92 -49.06 28.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.685 0.675 . . . . 10.0 109.854 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -54.09 -50.65 66.34 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.035 -0.507 . . . . 10.0 110.653 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.67 -43.72 72.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.866 0.757 . . . . 10.0 111.305 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.0 mt -54.07 -54.74 35.26 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.228 0.922 . . . . 10.0 109.68 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.27 -53.84 17.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 CA-C-O 118.368 -0.825 . . . . 10.0 109.653 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -55.81 -51.81 66.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.037 0.835 . . . . 10.0 111.682 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.34 88.82 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.254 0.622 . . . . 10.0 111.233 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.25 -39.95 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 122.626 0.37 . . . . 10.0 110.458 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -155.17 99.83 2.32 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.578 1.551 . . . . 10.0 110.368 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.84 119.57 6.62 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.6 1.533 . . . . 10.0 109.582 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p -75.66 121.05 84.32 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 117.743 -1.123 . . . . 10.0 110.682 -170.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.52 -41.36 60.83 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.047 2.498 . . . . 10.0 113.196 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -158.56 139.29 9.26 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 117.513 -1.232 . . . . 10.0 107.895 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -43.29 -44.03 10.25 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.359 2.706 . . . . 10.0 113.452 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.8 50.35 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.701 -0.624 . . . . 10.0 112.115 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -25.63 39.02 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.746 0.818 . . . . 10.0 111.981 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -55.37 -19.28 8.51 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -59.09 -29.05 67.06 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.773 0.715 . . . . 10.0 112.693 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.48 136.63 54.92 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.582 -0.699 . . . . 10.0 110.775 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -46.27 18.11 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.6 1.16 . . . . 10.0 112.759 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -58.97 -46.46 88.03 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.0 mmm -64.1 -47.48 79.88 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 118.805 -0.617 . . . . 10.0 109.944 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.47 -44.05 65.33 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.132 0.878 . . . . 10.0 110.812 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.34 -45.61 92.43 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.984 -0.447 . . . . 10.0 111.028 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.96 -43.79 97.83 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.491 -0.755 . . . . 10.0 110.94 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.5 -51.24 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 125.341 1.457 . . . . 10.0 108.797 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.95 73.86 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.532 0.333 . . . . 10.0 110.727 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -54.95 -49.81 70.43 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.078 0.399 . . . . 10.0 110.825 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.76 -46.47 87.39 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.892 0.477 . . . . 10.0 111.013 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.21 -53.53 56.05 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.9 0.48 . . . . 10.0 110.516 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.42 -51.91 61.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.417 0.687 . . . . 10.0 110.72 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -44.23 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 119.356 -0.354 . . . . 10.0 110.554 -176.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -54.4 -46.15 73.05 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.946 0.794 . . . . 10.0 110.232 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.22 -55.21 22.86 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.759 -0.936 . . . . 10.0 110.759 173.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.25 -49.51 61.02 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.218 0.607 . . . . 10.0 110.842 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mmt -61.85 -46.98 87.09 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.339 -0.226 . . . . 10.0 111.296 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.54 -43.16 75.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.094 0.958 . . . . 10.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.72 -46.77 71.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.83 0.852 . . . . 10.0 111.689 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -69.04 -41.56 77.5 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 113.18 3.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -169.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -57.09 -30.93 64.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.029 1.332 . . . . 10.0 113.207 171.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 p -143.99 163.46 33.41 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.185 0.994 . . . . 10.0 110.028 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -56.83 -44.71 82.34 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.39 -55.54 18.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.92 0.888 . . . . 10.0 110.193 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -54.9 -51.32 66.38 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -51.67 -51.66 54.11 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.115 0.966 . . . . 10.0 111.767 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -60.25 -48.8 80.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.992 -0.442 . . . . 10.0 110.631 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -54.52 -62.34 1.72 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.271 -0.395 . . . . 10.0 111.925 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.86 -30.14 70.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.275 0.943 . . . . 10.0 112.988 -175.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.2 mt -64.62 -55.06 22.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.069 1.304 . . . . 10.0 110.749 171.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.71 78.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.104 -0.372 . . . . 10.0 110.165 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.74 -45.91 92.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.687 0.795 . . . . 10.0 110.886 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -53.23 -52.58 58.48 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.701 0.682 . . . . 10.0 109.895 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.0 mt -53.51 -54.83 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.882 0.373 . . . . 10.0 110.445 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.83 -53.6 18.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.881 1.672 . . . . 10.0 109.474 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -55.93 -54.08 49.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.602 -0.714 . . . . 10.0 111.102 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.97 -58.84 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 119.001 0.818 . . . . 10.0 109.736 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -52.17 -59.07 4.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.884 0.311 . . . . 10.0 111.142 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -49.52 73.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.84 1.256 . . . . 10.0 111.638 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.66 0.743 . . . . 10.0 110.911 178.479 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 120.585 0.231 . . . . 10.0 111.384 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -52.09 -36.17 50.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.437 0.695 . . . . 10.0 111.366 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.86 -40.88 4.76 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.666 1.186 . . . . 10.0 111.894 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.1 mm -53.43 -53.16 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.145 0.978 . . . . 10.0 110.208 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -49.11 40.68 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 -169.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.91 -38.72 76.37 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.692 -0.194 . . . . 10.0 110.825 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.22 -51.8 67.46 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.357 0.663 . . . . 10.0 110.806 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.97 -55.0 35.62 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.508 0.67 . . . . 10.0 109.95 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.74 -42.28 78.99 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.826 0.85 . . . . 10.0 111.908 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.04 -52.01 37.68 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 123.966 0.906 . . . . 10.0 110.31 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.65 -54.83 16.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 62.3 mtt -51.58 -36.54 45.81 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 40.6 m -69.51 -13.32 62.28 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 14.5 m -51.32 -48.31 62.41 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.561 1.528 . . . . 10.0 111.685 -175.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -60.96 -42.95 99.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.024 -0.423 . . . . 10.0 111.529 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.227 -0.12 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 177.061 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 107.279 -1.378 . . . . 10.0 107.279 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.67 30.93 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 118.915 0.779 . . . . 10.0 111.352 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -60.48 -20.94 61.7 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.864 0.865 . . . . 10.0 112.989 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -55.83 -32.79 63.9 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.776 0.83 . . . . 10.0 111.511 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -38.33 -37.69 0.31 Allowed 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.575 1.55 . . . . 10.0 112.788 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -106.63 5.61 29.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.993 1.109 . . . . 10.0 113.993 -171.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.96 111.68 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 119.318 0.963 . . . . 10.0 110.311 -174.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.6 p -78.74 163.5 25.34 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 122.239 1.019 . . . . 10.0 112.376 -174.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -60.75 -43.78 97.55 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.704 -1.135 . . . . 10.0 109.741 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.57 -48.52 69.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 10.0 110.398 174.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.84 -52.19 66.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 119.249 -0.405 . . . . 10.0 110.982 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -51.63 -47.96 63.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.077 0.853 . . . . 10.0 111.682 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -61.43 -45.3 94.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.159 0.984 . . . . 10.0 110.845 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -69.89 -33.15 71.83 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.514 -0.742 . . . . 10.0 110.333 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.64 -47.34 84.17 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.389 -1.444 . . . . 10.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.36 -47.51 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.17 -48.72 67.78 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.67 -0.644 . . . . 10.0 111.869 174.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -55.83 -45.5 78.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.899 -0.572 . . . . 10.0 111.048 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.32 -52.79 60.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.801 0.728 . . . . 10.0 109.757 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.2 t -52.57 -50.28 40.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 117.995 -1.002 . . . . 10.0 109.927 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -59.85 -47.87 83.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 10.0 111.154 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.09 -36.74 84.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.427 0.691 . . . . 10.0 111.415 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.16 -37.72 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.464 0.706 . . . . 10.0 110.769 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -156.51 91.22 2.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 126.34 1.856 . . . . 10.0 110.517 -168.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.42 114.8 1.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.815 2.343 . . . . 10.0 110.893 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -83.1 131.22 54.32 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 -171.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.71 -40.9 9.09 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.51 2.14 . . . . 10.0 112.126 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -155.78 140.23 11.81 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-O 117.595 -1.193 . . . . 10.0 108.285 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -42.61 -45.63 8.35 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.459 2.773 . . . . 10.0 113.802 172.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.4 -32.39 57.08 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 10.0 112.211 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.53 -24.86 61.62 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.128 0.571 . . . . 10.0 111.592 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.76 -20.9 24.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.421 0.555 . . . . 10.0 112.214 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -66.25 -19.48 65.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.13 149.56 47.46 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 0.801 . . . . 10.0 111.023 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.93 77.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.095 0.558 . . . . 10.0 111.849 -174.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -63.73 -46.6 84.65 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 79.2 mmm -53.49 -53.39 52.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 119.33 -0.367 . . . . 10.0 110.298 171.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.03 -40.91 64.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.561 0.744 . . . . 10.0 111.396 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -60.72 -47.55 85.76 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.837 -0.54 . . . . 10.0 110.891 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.74 -43.34 99.07 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.529 -0.732 . . . . 10.0 110.708 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.56 -49.94 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.5 1.12 . . . . 10.0 109.238 174.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.41 77.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.708 0.403 . . . . 10.0 110.927 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.38 -49.33 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.132 -0.355 . . . . 10.0 110.858 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.64 90.55 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.89 0.476 . . . . 10.0 111.022 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -56.12 -52.57 63.87 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.943 0.497 . . . . 10.0 110.244 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -53.22 -55.84 21.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.268 0.627 . . . . 10.0 110.377 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -45.63 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 119.324 -0.37 . . . . 10.0 110.612 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.09 -45.45 75.42 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.092 0.86 . . . . 10.0 110.743 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.78 -54.08 32.75 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -51.77 -49.52 62.48 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.381 0.672 . . . . 10.0 110.682 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 19.8 mmt -60.4 -43.82 96.3 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.188 -0.435 . . . . 10.0 110.97 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.13 -50.97 67.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.31 0.505 . . . . 10.0 110.153 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -64.25 -37.14 86.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.075 0.55 . . . . 10.0 111.68 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 m -68.2 -41.03 81.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.611 0.72 . . . . 10.0 111.851 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.29 103.27 1.56 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.433 1.093 . . . . 10.0 112.974 -169.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.42 -23.14 62.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.88 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -144.57 167.53 22.3 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.767 0.827 . . . . 10.0 110.093 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.02 -46.55 88.71 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.555 1.542 . . . . 10.0 110.26 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -48.25 -53.33 17.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.988 0.515 . . . . 10.0 110.875 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -57.15 -52.05 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.014 -0.517 . . . . 10.0 110.029 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -46.29 -51.13 15.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.273 0.629 . . . . 10.0 112.077 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -64.18 -49.77 70.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.97 -0.456 . . . . 10.0 111.206 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.72 -60.47 3.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -66.23 -30.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.985 0.811 . . . . 10.0 112.831 -174.207 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 mt -65.31 -51.99 57.0 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.553 1.069 . . . . 10.0 110.74 172.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.14 83.41 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.76 -0.588 . . . . 10.0 110.412 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.12 -49.15 76.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.765 0.826 . . . . 10.0 110.372 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -52.07 -53.01 47.5 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.325 0.65 . . . . 10.0 110.211 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.91 -52.65 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.193 0.521 . . . . 10.0 111.019 175.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.48 -51.57 64.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.225 1.01 . . . . 10.0 109.292 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -56.64 -50.44 72.05 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-O 118.434 -0.793 . . . . 10.0 111.432 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.12 -58.96 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 119.29 0.95 . . . . 10.0 109.461 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -53.46 -55.18 27.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.507 0.594 . . . . 10.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -55.35 -48.02 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 . . . . . 0 CA--C 1.533 0.294 0 C-N-CA 123.763 0.825 . . . . 10.0 110.817 -179.356 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 115.894 1.813 . . . . 10.0 115.894 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.01 -47.27 85.82 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.173 0.589 . . . . 10.0 110.845 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -59.9 -44.11 94.43 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.206 0.602 . . . . 10.0 110.023 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.27 -49.99 59.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -62.75 -46.77 86.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 119.477 -0.297 . . . . 10.0 110.792 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -55.84 -49.46 73.23 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.257 0.48 . . . . 10.0 111.205 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.23 -50.61 72.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.165 0.986 . . . . 10.0 110.141 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.94 -48.26 76.05 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.244 0.618 . . . . 10.0 109.896 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.27 -41.21 97.02 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.121 1.369 . . . . 10.0 112.092 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 tp -44.65 -48.54 10.54 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 125.319 1.448 . . . . 10.0 111.778 -173.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -39.57 84.92 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.05 -0.406 . . . . 10.0 110.63 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 28.7 mtt -73.99 -39.51 63.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.88 0.872 . . . . 10.0 110.632 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.2 p -51.11 -29.38 13.15 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.47 0.708 . . . . 10.0 112.714 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -37.84 -47.25 1.01 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.973 1.309 . . . . 10.0 111.841 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.82 -31.69 68.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.527 0.731 . . . . 10.0 111.986 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 . . . . . 0 CA--C 1.522 -0.123 0 C-N-CA 123.956 0.902 . . . . 10.0 109.659 177.6 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.89 49.87 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.675 -0.57 . . . . 10.0 111.675 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.43 -9.63 58.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.751 0.82 . . . . 10.0 112.822 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -50.4 -46.36 56.2 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.837 0.744 . . . . 10.0 109.779 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.83 -30.54 14.6 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.841 0.856 . . . . 10.0 112.601 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -78.76 -42.73 27.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.447 0.699 . . . . 10.0 110.453 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.39 89.64 1.94 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 123.419 0.688 . . . . 10.0 109.919 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.7 p -59.44 166.0 2.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.874 1.27 . . . . 10.0 112.261 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -58.2 -48.17 81.16 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.718 -1.128 . . . . 10.0 110.493 174.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.96 -47.63 77.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.361 0.664 . . . . 10.0 111.694 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.33 -48.82 79.6 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.765 1.166 . . . . 10.0 110.812 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -60.92 -34.91 75.42 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 120.829 -1.169 . . . . 10.0 111.879 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 m -58.44 -47.76 82.93 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.849 0.75 . . . . 10.0 111.067 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -62.22 -39.61 93.36 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.752 -0.593 . . . . 10.0 110.595 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.45 -47.14 80.19 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.215 -0.928 . . . . 10.0 110.92 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 t -48.5 -51.7 10.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 118.906 0.776 . . . . 10.0 109.883 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -51.41 -53.19 39.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.865 -0.588 . . . . 10.0 110.796 174.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -51.95 -43.24 63.41 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.981 0.81 . . . . 10.0 111.756 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.96 -53.62 54.7 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 118.971 0.805 . . . . 10.0 109.882 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -52.89 -52.61 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 118.823 -0.608 . . . . 10.0 109.754 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -54.51 -49.7 69.6 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.77 0.713 . . . . 10.0 111.613 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.43 87.48 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.392 0.677 . . . . 10.0 111.678 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.11 -43.48 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.342 0.657 . . . . 10.0 110.248 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -166.24 100.0 0.71 Allowed Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.195 1.398 . . . . 10.0 109.234 -169.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.72 127.24 20.44 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.69 2.927 . . . . 10.0 112.553 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -67.79 121.85 81.21 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 117.619 -1.181 . . . . 10.0 110.02 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.02 -42.87 50.94 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.981 2.454 . . . . 10.0 113.045 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -161.76 144.66 9.11 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -43.83 -45.18 11.41 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.112 2.541 . . . . 10.0 113.532 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.38 -34.54 58.06 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.708 -0.62 . . . . 10.0 112.072 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.02 -29.87 58.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.304 0.641 . . . . 10.0 111.425 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt -52.76 -24.81 9.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.413 0.685 . . . . 10.0 112.246 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.25 -17.79 63.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.116 0.784 . . . . 10.0 113.116 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -94.79 139.35 31.4 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.134 0.879 . . . . 10.0 111.72 -172.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -30.04 -53.74 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.323 2.249 . . . . 10.0 112.928 172.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 tpt85 -53.85 -41.39 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.698 1.199 . . . . 10.0 111.582 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -46.95 14.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.658 0.383 . . . . 10.0 110.719 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -48.29 -38.5 18.99 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.435 0.694 . . . . 10.0 111.929 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -56.18 -48.02 77.17 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 173.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 mp -69.71 -41.8 74.86 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.752 -0.592 . . . . 10.0 109.637 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.19 -51.53 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.53 57.23 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.143 0.977 . . . . 10.0 111.085 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.07 -49.21 66.85 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.68 0.392 . . . . 10.0 110.733 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.6 -47.25 86.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.244 0.617 . . . . 10.0 110.692 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -55.04 -52.99 61.45 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.184 0.447 . . . . 10.0 110.66 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -53.12 -55.79 21.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.417 0.687 . . . . 10.0 110.974 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.76 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 122.703 0.401 . . . . 10.0 110.619 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -56.61 -46.79 80.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 121.679 -0.638 . . . . 10.0 109.929 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -58.34 8.02 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -48.9 -51.28 30.84 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.108 0.563 . . . . 10.0 111.071 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.4 mmt -61.19 -43.84 98.24 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 119.229 -0.415 . . . . 10.0 111.773 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -57.99 -45.59 86.58 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.509 0.595 . . . . 10.0 110.246 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.7 -38.58 80.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.789 0.436 . . . . 10.0 111.308 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 m -72.73 -46.2 54.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.551 0.691 . . . . 10.0 112.342 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 115.84 5.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.739 1.215 . . . . 10.0 111.461 -169.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.81 20.37 3.55 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.625 -0.672 . . . . 10.0 110.875 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -167.69 150.48 5.9 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.084 1.354 . . . . 10.0 108.118 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -56.02 -41.57 75.15 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.607 0.763 . . . . 10.0 110.058 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.17 -49.49 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -57.07 -54.82 42.47 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -47.31 -51.98 17.71 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.334 1.054 . . . . 10.0 112.141 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -59.31 -53.57 56.75 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.595 -0.69 . . . . 10.0 110.823 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -52.26 -63.29 1.19 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.966 0.506 . . . . 10.0 112.287 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.302 0.3 OUTLIER -66.95 -25.31 66.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.546 -0.74 . . . . 10.0 112.14 -173.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 mt -65.78 -53.24 42.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 120.027 1.285 . . . . 10.0 110.54 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.12 -45.39 75.54 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.079 -0.388 . . . . 10.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.98 -42.4 98.3 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.836 0.454 . . . . 10.0 110.944 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.94 -52.35 66.14 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.497 -0.752 . . . . 10.0 110.3 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 95.9 mt -50.63 -54.91 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.103 0.478 . . . . 10.0 109.784 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -50.96 -52.86 38.32 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.053 0.941 . . . . 10.0 110.004 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -57.36 -51.07 70.9 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 118.2 -0.905 . . . . 10.0 111.073 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.6 -57.96 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 120.301 1.41 . . . . 10.0 109.199 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -51.69 -58.62 5.86 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.31 0.504 . . . . 10.0 111.21 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -57.11 -55.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.06 0.944 . . . . 10.0 112.465 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 . . . . . 0 C--N 1.328 -0.337 0 C-N-CA 124.126 0.97 . . . . 10.0 110.574 -179.019 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 113.487 0.921 . . . . 10.0 113.487 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.55 -41.34 98.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.528 0.331 . . . . 10.0 110.668 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.31 89.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.9 -53.18 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.289 0.636 . . . . 10.0 109.815 175.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -64.71 -51.05 64.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.067 -0.492 . . . . 10.0 111.336 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -52.46 -51.34 59.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.575 0.625 . . . . 10.0 110.332 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.05 -52.25 64.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.274 1.029 . . . . 10.0 110.846 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.49 -49.55 76.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.633 0.73 . . . . 10.0 109.978 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.25 -37.16 84.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.259 1.423 . . . . 10.0 111.445 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 tp -49.24 -53.31 22.17 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.135 0.974 . . . . 10.0 110.626 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.13 -52.42 55.36 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.5 mmt -47.65 -40.91 21.04 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.972 0.509 . . . . 10.0 112.098 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 61.5 m -61.58 -25.97 67.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.437 1.273 . . . . 10.0 114.437 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -42.66 -52.57 4.82 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.924 1.238 . . . . 10.0 113.545 -169.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -56.65 -35.89 68.88 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 123.373 0.669 . . . . 10.0 110.009 -179.879 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.74 -67.95 1.61 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 109.203 -1.559 . . . . 10.0 109.203 -169.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -71.38 -18.19 62.37 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.003 0.921 . . . . 10.0 112.411 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -45.56 -44.82 13.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.223 1.009 . . . . 10.0 110.472 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -38.71 -42.54 0.81 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 127.952 2.501 . . . . 10.0 112.842 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -89.09 -2.97 58.78 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.005 1.322 . . . . 10.0 111.933 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.56 89.9 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 123.965 0.906 . . . . 10.0 108.923 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 p -86.11 173.73 9.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.636 1.574 . . . . 10.0 111.038 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.71 -40.62 13.68 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.859 1.264 . . . . 10.0 111.7 176.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.11 -57.55 12.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.457 0.703 . . . . 10.0 109.58 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.45 -40.93 96.65 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.332 -0.366 . . . . 10.0 110.18 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -54.18 -50.1 67.81 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.18 0.9 . . . . 10.0 110.927 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 t -57.73 -51.88 67.74 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.241 0.616 . . . . 10.0 110.416 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -53.51 -44.51 69.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.717 0.807 . . . . 10.0 110.332 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.3 -47.52 76.31 Favored 'General case' 0 C--O 1.225 -0.221 0 O-C-N 121.61 -0.681 . . . . 10.0 111.368 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.7 t -53.24 -48.7 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 119.473 1.033 . . . . 10.0 110.268 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -52.28 -51.76 56.67 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.799 -0.563 . . . . 10.0 109.949 173.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.29 -36.33 73.16 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.07 -54.14 50.12 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 120.111 1.323 . . . . 10.0 108.655 171.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.57 -51.38 43.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 118.074 -0.965 . . . . 10.0 109.741 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.47 -48.83 80.15 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 119.641 1.109 . . . . 10.0 112.271 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.77 84.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.617 -0.677 . . . . 10.0 111.238 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.39 -46.62 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 O-C-N 121.774 -0.579 . . . . 10.0 109.614 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -144.15 92.36 6.23 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 126.903 2.081 . . . . 10.0 110.346 -168.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -65.41 114.15 2.76 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.611 1.541 . . . . 10.0 109.226 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -79.55 120.0 78.8 Favored Pre-proline 0 N--CA 1.455 -0.22 0 CA-C-O 117.8 -1.095 . . . . 10.0 110.637 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.66 -40.23 55.88 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 123.167 2.578 . . . . 10.0 113.205 173.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.65 130.91 9.2 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.872 -1.061 . . . . 10.0 108.144 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.06 -42.15 12.7 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.765 2.977 . . . . 10.0 113.273 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.75 47.67 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.491 -0.756 . . . . 10.0 111.962 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -23.38 32.22 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 10.0 112.238 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.68 -25.15 3.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.497 0.719 . . . . 10.0 112.611 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -24.55 67.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.195 0.813 . . . . 10.0 113.195 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.37 137.02 57.22 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.441 -0.787 . . . . 10.0 110.848 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -40.62 -49.22 2.99 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.179 1.391 . . . . 10.0 113.321 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.64 -44.62 96.16 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.041 -0.412 . . . . 10.0 110.223 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.8 mmm -65.33 -45.41 84.38 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.029 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -53.85 -44.59 70.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.297 0.953 . . . . 10.0 110.529 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -48.12 81.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 122.117 -0.364 . . . . 10.0 110.677 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.47 -40.01 94.89 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.515 0.326 . . . . 10.0 110.822 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.81 -51.28 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.575 1.55 . . . . 10.0 108.68 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.32 72.76 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.579 0.352 . . . . 10.0 110.684 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -53.78 -51.84 62.13 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 122.42 0.288 . . . . 10.0 110.497 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.89 88.1 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.87 0.868 . . . . 10.0 111.106 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.29 -53.72 54.93 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.228 0.467 . . . . 10.0 110.186 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -51.55 -55.56 18.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.536 0.734 . . . . 10.0 110.252 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -47.71 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.649 0.78 . . . . 10.0 110.757 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -55.01 -48.51 73.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.463 1.028 . . . . 10.0 110.521 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.76 42.21 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.205 -0.758 . . . . 10.0 111.205 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.61 -48.55 66.24 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.552 0.741 . . . . 10.0 110.822 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 mmt -62.97 -43.25 99.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.059 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.74 -43.7 76.85 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.332 0.515 . . . . 10.0 110.415 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.54 -44.54 82.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.135 0.574 . . . . 10.0 111.74 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 m -70.49 -42.43 71.38 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 117.15 11.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.134 0.974 . . . . 10.0 112.038 -169.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.56 1.05 31.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.846 -0.534 . . . . 10.0 111.633 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.9 p -153.51 157.36 39.68 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 120.97 -1.081 . . . . 10.0 109.897 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -62.78 -44.11 97.03 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.37 0.668 . . . . 10.0 110.53 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.19 81.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 118.998 -0.525 . . . . 10.0 111.06 173.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.06 -50.54 73.68 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.988 0.813 . . . . 10.0 109.341 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -49.78 -51.96 35.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.982 0.913 . . . . 10.0 111.696 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.59 -52.82 63.39 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.636 -0.665 . . . . 10.0 110.931 173.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -55.56 -62.7 1.51 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.8 0.44 . . . . 10.0 112.101 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.3 OUTLIER -64.1 -26.53 68.58 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.791 0.723 . . . . 10.0 112.364 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.25 -57.08 10.47 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.799 1.181 . . . . 10.0 110.29 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.92 69.06 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.149 -0.344 . . . . 10.0 110.763 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.13 -49.48 71.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.21 0.604 . . . . 10.0 110.419 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -55.28 -51.1 67.78 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 118.955 0.798 . . . . 10.0 110.547 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -51.4 -55.06 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.643 0.656 . . . . 10.0 109.941 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -52.85 41.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.853 1.261 . . . . 10.0 109.109 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -56.91 -52.4 65.34 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 117.757 -1.116 . . . . 10.0 111.275 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.9 -56.14 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 120.708 1.594 . . . . 10.0 109.396 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -51.23 -57.32 9.12 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.951 0.157 . . . . 10.0 110.748 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -59.0 -53.25 60.52 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.932 0.715 . . . . 10.0 112.932 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 C-N-CA 125.41 1.484 . . . . 10.0 110.327 -177.546 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -67.93 -34.65 77.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.496 -0.775 . . . . 10.0 111.025 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.3 69.61 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 175.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.36 -54.32 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.366 0.667 . . . . 10.0 110.027 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -65.95 -46.51 77.9 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.319 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -56.72 -49.48 75.07 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.244 0.475 . . . . 10.0 110.034 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 tp -54.11 -52.9 59.55 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.295 0.638 . . . . 10.0 110.84 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.19 -54.7 43.91 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.527 0.679 . . . . 10.0 109.939 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.64 -42.07 78.27 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 125.423 1.489 . . . . 10.0 111.99 -174.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.41 -46.14 62.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.197 0.599 . . . . 10.0 111.155 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.54 -55.0 15.2 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 96.4 mmm -48.53 -39.68 24.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.418 0.687 . . . . 10.0 112.185 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.0 m -60.83 -15.98 36.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 49.2 m -52.87 -57.17 11.13 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.61 1.096 . . . . 10.0 111.878 -170.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.08 -46.54 65.23 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 119.13 0.877 . . . . 10.0 112.37 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 C--N 1.332 -0.176 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 177.629 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.48 -64.16 2.55 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 121.172 -0.955 . . . . 10.0 111.437 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -50.73 -31.49 16.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.591 1.156 . . . . 10.0 112.035 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -36.34 -43.43 0.37 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.482 1.913 . . . . 10.0 112.342 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -44.11 -40.42 4.91 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.967 1.707 . . . . 10.0 112.315 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -99.28 21.36 12.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.106 1.363 . . . . 10.0 111.617 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -143.13 92.98 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 124.804 1.242 . . . . 10.0 107.841 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -78.34 164.15 25.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.937 1.295 . . . . 10.0 111.777 -173.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.11 39.51 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.271 1.028 . . . . 10.0 110.262 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.31 -48.2 79.54 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.686 0.794 . . . . 10.0 111.157 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.1 tp -66.32 -44.2 84.05 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -51.66 -50.26 60.73 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.837 -0.539 . . . . 10.0 109.947 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -57.12 -47.56 80.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.002 1.321 . . . . 10.0 111.133 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.7 -45.76 91.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.114 0.565 . . . . 10.0 110.276 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.46 -45.95 88.45 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.209 0.603 . . . . 10.0 110.551 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.89 -49.65 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.608 -0.682 . . . . 10.0 109.819 171.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.33 -49.79 71.3 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.047 -0.353 . . . . 10.0 110.047 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -52.75 -43.93 66.1 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 118.651 -0.69 . . . . 10.0 112.021 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.1 mt -55.27 -53.25 58.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 119.272 0.942 . . . . 10.0 109.897 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.1 t -54.41 -54.27 23.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.202 -0.904 . . . . 10.0 109.671 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -54.15 -48.18 71.15 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.606 1.094 . . . . 10.0 111.885 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.17 90.89 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.477 0.711 . . . . 10.0 110.782 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.85 -52.03 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.231 0.539 . . . . 10.0 109.893 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -146.38 98.4 4.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.727 2.411 . . . . 10.0 108.714 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -55.36 124.39 16.17 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.949 2.433 . . . . 10.0 111.157 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.1 p -85.59 122.88 73.24 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 117.79 -1.1 . . . . 10.0 109.942 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.79 -40.44 39.16 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.593 2.862 . . . . 10.0 114.697 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -157.62 142.56 12.09 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 117.628 -1.177 . . . . 10.0 108.764 -173.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.18 -45.54 9.61 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.467 2.778 . . . . 10.0 113.851 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.97 60.69 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.538 -0.726 . . . . 10.0 111.897 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.09 50.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.031 0.533 . . . . 10.0 111.621 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.0 mt -53.98 -25.21 19.72 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.678 0.672 . . . . 10.0 112.299 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -72.34 -19.24 61.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.97 132.9 55.38 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.996 0.816 . . . . 10.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -48.47 -54.01 15.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -56.03 -45.75 79.04 Favored 'General case' 0 CA--C 1.529 0.154 0 O-C-N 121.693 -0.63 . . . . 10.0 109.739 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 29.0 tpp -61.25 -43.64 98.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.898 -0.501 . . . . 10.0 111.474 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -56.03 -38.0 69.96 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.276 0.63 . . . . 10.0 110.604 173.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.28 -44.09 89.13 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.957 -0.464 . . . . 10.0 111.067 174.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.79 -48.11 82.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.994 0.815 . . . . 10.0 110.022 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -52.96 -50.61 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.914 0.886 . . . . 10.0 109.694 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.56 68.63 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.933 -0.479 . . . . 10.0 111.093 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -53.48 -49.95 66.39 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.741 0.417 . . . . 10.0 110.637 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -46.34 88.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.767 0.427 . . . . 10.0 110.847 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -56.12 -52.96 62.44 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -52.42 -56.11 17.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.372 0.669 . . . . 10.0 110.619 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -44.35 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 122.279 -0.263 . . . . 10.0 110.504 -174.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -57.65 -46.78 83.77 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.601 -0.687 . . . . 10.0 110.628 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.87 -50.89 52.72 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.09 -50.23 64.82 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.354 -0.498 . . . . 10.0 110.869 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -43.11 95.7 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 119.374 -0.346 . . . . 10.0 111.228 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.95 -44.95 67.47 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.908 0.883 . . . . 10.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.72 -32.82 41.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.0 m -70.57 -47.87 58.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.893 0.77 . . . . 10.0 111.723 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.97 125.66 25.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.202 1.001 . . . . 10.0 111.253 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.39 19.79 11.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.838 -0.539 . . . . 10.0 111.222 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -168.55 147.23 4.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 126.131 1.773 . . . . 10.0 107.954 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -53.3 -44.71 68.56 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.468 0.707 . . . . 10.0 110.348 173.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -49.85 -52.24 34.05 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.262 0.625 . . . . 10.0 111.284 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.17 -52.58 64.98 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -48.28 -50.38 30.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.651 0.78 . . . . 10.0 112.041 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.02 -55.84 29.93 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.604 -0.685 . . . . 10.0 110.936 172.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -53.94 -59.15 5.01 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -174.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.307 0.3 OUTLIER -67.09 -26.11 66.55 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.491 -0.766 . . . . 10.0 112.424 -177.146 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.63 -51.78 56.95 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 120.066 1.303 . . . . 10.0 109.705 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.49 -48.39 68.98 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.154 -0.341 . . . . 10.0 110.181 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -57.4 -46.94 82.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.094 -0.379 . . . . 10.0 110.953 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -55.47 -52.68 62.83 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.82 -0.55 . . . . 10.0 110.249 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.67 -53.12 14.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-O 120.817 0.342 . . . . 10.0 110.113 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -55.63 19.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 10.0 109.382 -177.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -58.42 -50.05 75.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.485 -0.769 . . . . 10.0 111.591 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.7 mt -47.65 -60.55 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -51.07 -53.77 30.88 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.794 0.724 . . . . 10.0 111.813 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -57.39 -53.77 54.35 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 123.831 0.853 . . . . 10.0 110.922 179.126 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 121.101 0.477 . . . . 10.0 112.009 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.44 -39.18 86.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.176 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -51.25 64.75 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.76 -54.48 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.441 0.696 . . . . 10.0 110.007 175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.12 -47.69 73.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.195 -0.431 . . . . 10.0 111.26 -173.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -56.36 -48.32 77.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.39 0.541 . . . . 10.0 110.223 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.16 -50.76 70.26 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.176 0.99 . . . . 10.0 110.853 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.33 -53.54 56.45 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.502 0.668 . . . . 10.0 110.209 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.35 -43.59 79.26 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.616 1.566 . . . . 10.0 110.948 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.3 tp -45.87 -53.06 10.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.923 0.889 . . . . 10.0 110.703 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.48 -52.09 43.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.3 mmt -45.81 -43.15 13.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.069 0.548 . . . . 10.0 111.769 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 56.5 p -69.4 -10.64 58.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 28.2 m -50.83 -46.65 60.07 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.732 1.151 . . . . 10.0 111.962 -173.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.43 -45.46 80.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.751 0.705 . . . . 10.0 112.316 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.53 0.193 0 C-N-CA 123.691 0.796 . . . . 10.0 110.776 179.648 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 107.64 -1.244 . . . . 10.0 107.64 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.93 -39.6 40.66 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.434 0.561 . . . . 10.0 111.949 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -79.96 -9.96 59.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.773 0.829 . . . . 10.0 113.21 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -49.35 -42.66 42.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.808 0.843 . . . . 10.0 111.975 -173.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.54 -35.79 4.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.223 1.409 . . . . 10.0 113.335 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -70.47 -61.93 1.58 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 122.024 0.916 . . . . 10.0 110.137 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.24 85.91 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.278 -169.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -71.32 162.33 29.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.747 -1.115 . . . . 10.0 111.767 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -48.26 -42.06 29.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.038 1.335 . . . . 10.0 112.782 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.98 -44.94 96.63 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.97 -0.457 . . . . 10.0 111.086 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.74 -45.68 81.69 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -50.67 -47.14 58.87 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.385 0.539 . . . . 10.0 110.471 173.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -57.98 -50.06 74.69 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.102 0.961 . . . . 10.0 110.923 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.32 -38.08 89.74 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.748 -0.595 . . . . 10.0 110.961 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.37 -48.2 76.39 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.769 -1.207 . . . . 10.0 110.722 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.5 t -51.28 -48.63 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.463 -0.773 . . . . 10.0 109.86 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -53.31 -46.97 69.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.803 -0.617 . . . . 10.0 111.231 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.26 -46.38 83.1 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 118.495 0.589 . . . . 10.0 111.325 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.0 mt -53.44 -52.34 59.76 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.795 0.725 . . . . 10.0 109.699 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.4 t -52.4 -51.65 31.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.25 -0.881 . . . . 10.0 109.354 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -58.33 -48.17 81.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.565 1.075 . . . . 10.0 111.482 -177.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.14 76.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.852 0.861 . . . . 10.0 111.324 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.6 mt -81.36 -41.49 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.337 0.655 . . . . 10.0 111.268 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -155.73 100.18 2.21 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 126.487 1.915 . . . . 10.0 109.543 -168.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -59.87 116.31 3.22 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.739 1.626 . . . . 10.0 109.829 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 m -74.15 126.59 89.02 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-O 118.975 -0.536 . . . . 10.0 110.483 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -51.35 -52.72 8.45 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 124.149 3.232 . . . . 10.0 114.185 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -161.8 146.11 9.8 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 107.545 -1.28 . . . . 10.0 107.545 -171.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -43.47 -46.97 9.58 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.257 2.638 . . . . 10.0 113.617 174.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.8 -35.09 63.5 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.689 -0.632 . . . . 10.0 111.851 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.11 61.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.009 0.524 . . . . 10.0 111.692 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.62 -25.65 27.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.379 0.536 . . . . 10.0 111.81 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -69.56 -21.57 63.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.32 127.27 32.04 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.138 -0.976 . . . . 10.0 109.777 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -43.84 -46.16 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.89 -38.04 75.09 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.152 -0.342 . . . . 10.0 110.511 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.1 tpp -76.83 -47.24 22.03 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 118.948 -0.549 . . . . 10.0 109.658 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -48.69 -45.04 38.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.283 0.947 . . . . 10.0 111.649 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -57.44 -44.23 84.56 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 122.25 -0.281 . . . . 10.0 111.083 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.41 -41.55 80.24 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.897 -0.502 . . . . 10.0 110.664 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.55 -50.36 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.4 -50.99 70.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.019 0.528 . . . . 10.0 110.864 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -51.84 -50.88 60.02 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.013 0.369 . . . . 10.0 111.061 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.36 90.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.059 -0.401 . . . . 10.0 110.544 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -55.21 -52.22 64.07 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.067 0.547 . . . . 10.0 110.395 174.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -54.04 -54.78 34.48 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.257 0.623 . . . . 10.0 110.935 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -44.64 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.128 -0.358 . . . . 10.0 110.321 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.87 -45.47 82.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.405 -0.809 . . . . 10.0 111.294 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.93 -53.0 39.22 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.716 -0.953 . . . . 10.0 110.716 173.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -50.97 -50.46 58.08 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.027 0.531 . . . . 10.0 110.507 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.1 mmt -57.41 -46.86 83.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 119.598 -0.239 . . . . 10.0 111.447 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.53 -48.63 71.73 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.811 0.445 . . . . 10.0 110.585 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.06 -27.21 61.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -73.81 -42.34 61.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.746 0.703 . . . . 10.0 112.252 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.51 115.91 10.23 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -65.17 -21.48 66.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.967 0.907 . . . . 10.0 112.76 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -154.59 150.06 27.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.327 -0.858 . . . . 10.0 109.394 -173.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -47.19 -46.2 23.68 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.634 1.174 . . . . 10.0 111.28 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.31 -47.6 65.87 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.478 0.711 . . . . 10.0 110.832 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -64.33 -48.37 75.85 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -50.26 -48.69 54.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.635 . . . . 10.0 111.596 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.35 -52.68 64.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.78 -0.575 . . . . 10.0 110.823 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -51.75 -63.67 1.06 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.724 0.41 . . . . 10.0 111.945 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.341 0.4 OUTLIER -64.06 -28.64 69.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.457 -0.777 . . . . 10.0 112.972 -175.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 mt -65.99 -53.99 31.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.983 1.265 . . . . 10.0 110.913 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.43 74.0 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.24 -45.43 91.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 10.0 110.957 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -55.75 -51.17 68.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.93 0.786 . . . . 10.0 110.127 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.1 mt -52.49 -53.19 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.843 0.354 . . . . 10.0 110.491 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -53.28 41.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.828 1.251 . . . . 10.0 109.501 -177.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -56.79 -52.56 64.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.33 0.652 . . . . 10.0 111.395 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.4 mt -49.85 -53.21 11.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 118.448 0.567 . . . . 10.0 109.855 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -59.79 -49.51 77.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.22 0.464 . . . . 10.0 111.52 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.88 -47.88 76.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.706 0.685 . . . . 10.0 111.926 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 . . . . . 0 CA--C 1.534 0.346 0 C-N-CA 123.342 0.657 . . . . 10.0 110.707 -177.031 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.543 0.211 . . . . 10.0 111.376 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -54.19 -47.61 71.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.478 0.711 . . . . 10.0 111.158 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -60.67 -59.07 5.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.29 -53.56 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 122.908 0.483 . . . . 10.0 110.151 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -70.58 -46.35 63.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.504 -0.76 . . . . 10.0 111.34 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.64 -46.79 88.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.334 0.97 . . . . 10.0 109.952 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.66 -54.3 39.74 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.793 0.837 . . . . 10.0 110.773 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.85 -52.95 63.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.243 0.544 . . . . 10.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.69 -42.38 88.41 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.509 1.124 . . . . 10.0 111.069 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.88 -53.15 53.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.298 0.639 . . . . 10.0 110.582 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.73 -50.43 72.46 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.7 mtt -51.13 -40.97 59.71 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.987 -0.445 . . . . 10.0 111.487 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -70.24 -9.66 56.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.519 1.128 . . . . 10.0 113.834 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 31.9 m -52.58 -43.77 65.49 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 120.097 1.317 . . . . 10.0 111.24 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.05 -45.61 79.2 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.198 -0.314 . . . . 10.0 111.349 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.528 0.106 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 178.686 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.55 -70.98 2.37 Favored Glycine 0 CA--C 1.525 0.68 0 O-C-N 120.142 -1.599 . . . . 10.0 110.045 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -53.97 -30.25 46.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.612 1.165 . . . . 10.0 111.454 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -42.83 -37.02 1.66 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.175 1.39 . . . . 10.0 112.649 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.17 -34.14 68.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.195 0.598 . . . . 10.0 112.095 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -74.95 -50.45 16.69 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.836 -0.801 . . . . 10.0 108.836 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -84.02 85.83 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.827 0.822 . . . . 10.0 110.289 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.0 p -76.15 162.12 28.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.628 1.571 . . . . 10.0 111.542 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -50.4 -38.58 43.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.147 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.41 -47.3 86.67 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.264 0.938 . . . . 10.0 110.492 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.78 -45.64 88.84 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.3 -47.04 62.7 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.493 0.588 . . . . 10.0 110.821 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -61.75 -46.51 89.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.077 1.351 . . . . 10.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.6 -34.4 76.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.539 -0.726 . . . . 10.0 110.983 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.27 -46.36 80.79 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 120.984 -1.072 . . . . 10.0 110.55 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -51.33 -47.6 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.09 -50.82 63.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 119.245 -0.407 . . . . 10.0 110.336 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmpm? -56.89 -40.31 76.0 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.868 0.758 . . . . 10.0 112.162 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.1 mt -54.05 -54.14 43.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 119.274 0.943 . . . . 10.0 109.262 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -53.19 -54.79 15.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 118.672 -0.68 . . . . 10.0 109.875 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -54.27 -49.39 69.68 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.024 0.829 . . . . 10.0 111.893 -177.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.81 0.444 . . . . 10.0 111.446 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.17 -32.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.457 0.703 . . . . 10.0 110.971 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -156.09 91.16 2.68 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.265 1.826 . . . . 10.0 108.816 -168.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.29 99.19 0.29 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.822 2.348 . . . . 10.0 110.651 -174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.8 m -93.92 133.59 27.45 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 10.0 109.693 -170.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.15 -49.68 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.439 2.759 . . . . 10.0 113.65 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.78 141.97 19.72 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 117.749 -1.119 . . . . 10.0 109.342 -169.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -42.1 -44.03 7.39 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.512 2.808 . . . . 10.0 113.735 170.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -36.98 59.63 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.633 -0.667 . . . . 10.0 112.188 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -25.06 62.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.165 0.586 . . . . 10.0 111.454 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.59 -15.63 29.91 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.69 -14.91 60.37 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.47 147.88 51.8 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 0.933 . . . . 10.0 111.181 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -60.82 -48.7 80.6 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.642 0.777 . . . . 10.0 112.584 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -55.5 -47.26 76.47 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.403 -0.962 . . . . 10.0 108.403 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.9 mmm -64.03 -48.86 74.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.669 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.58 -44.05 65.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.34 0.973 . . . . 10.0 110.551 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -61.67 -49.52 76.19 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.873 -0.517 . . . . 10.0 111.115 175.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.87 -36.92 84.87 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.584 -0.697 . . . . 10.0 111.092 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.83 -50.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 10.0 108.646 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.1 -50.35 67.04 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.318 0.508 . . . . 10.0 110.51 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.08 -51.51 66.15 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.263 0.225 . . . . 10.0 111.054 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.45 83.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.575 0.75 . . . . 10.0 111.2 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -55.3 -54.14 47.31 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.281 0.632 . . . . 10.0 110.235 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -51.8 -56.96 10.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.058 0.543 . . . . 10.0 110.344 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -45.48 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.574 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -56.73 -45.67 81.8 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.419 -0.801 . . . . 10.0 110.896 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.31 -51.06 53.64 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 10.0 110.974 173.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -52.79 -49.88 64.71 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.422 -0.458 . . . . 10.0 110.643 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.8 mmt -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 119.502 -0.285 . . . . 10.0 111.347 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.42 -47.83 66.09 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.879 0.871 . . . . 10.0 110.067 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -69.13 -42.9 75.41 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -67.72 -38.32 83.41 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.43 109.27 6.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -169.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -48.35 -52.2 22.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.749 1.22 . . . . 10.0 112.498 170.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.1 t -121.57 163.11 19.44 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.438 1.495 . . . . 10.0 110.78 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.92 -37.71 69.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 10.0 109.686 169.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -54.93 -52.13 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.386 0.612 . . . . 10.0 109.937 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.81 -50.08 74.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.698 0.799 . . . . 10.0 108.906 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -51.13 -52.31 45.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.783 0.833 . . . . 10.0 111.63 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -55.95 -52.14 65.19 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.978 -0.452 . . . . 10.0 110.653 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -55.63 -62.35 1.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.354 0.3 OUTLIER -64.91 -27.83 69.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.765 0.711 . . . . 10.0 112.494 -174.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.04 -54.37 31.31 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.843 1.201 . . . . 10.0 110.712 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.63 74.68 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.084 -0.385 . . . . 10.0 110.649 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.67 -50.49 70.11 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 123.415 0.686 . . . . 10.0 110.328 174.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -54.71 -50.62 67.87 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.71 -0.619 . . . . 10.0 110.412 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.84 -55.02 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -54.7 15.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.629 1.172 . . . . 10.0 109.391 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.27 -48.22 81.14 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.262 0.625 . . . . 10.0 111.552 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.61 -48.77 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 119.923 1.238 . . . . 10.0 110.225 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -56.78 -48.36 78.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.826 -0.546 . . . . 10.0 111.043 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -64.95 -51.88 59.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.991 0.516 . . . . 10.0 112.115 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--N 1.33 -0.246 0 C-N-CA 124.963 1.305 . . . . 10.0 111.088 -172.134 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 . . . . . 0 CA--C 1.529 0.135 0 N-CA-C 112.357 0.502 . . . . 10.0 112.357 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -54.7 -45.13 73.94 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.894 0.477 . . . . 10.0 110.304 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.45 67.26 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.23 -0.655 . . . . 10.0 109.23 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.03 -54.48 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.766 0.826 . . . . 10.0 110.155 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -66.59 -51.45 56.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 119.39 -0.338 . . . . 10.0 110.76 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.92 -47.38 77.6 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.416 0.553 . . . . 10.0 110.412 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 42.5 tp -54.73 -50.72 67.67 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.076 0.95 . . . . 10.0 110.564 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.85 -54.71 43.04 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.21 0.529 . . . . 10.0 110.615 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.96 -38.3 90.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.547 1.139 . . . . 10.0 112.306 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.49 -54.78 10.6 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.705 0.684 . . . . 10.0 110.552 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -54.21 47.63 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -177.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.2 mtt -47.76 -46.15 29.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.69 0.796 . . . . 10.0 111.436 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 55.4 p -71.27 -9.69 58.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.817 1.043 . . . . 10.0 113.817 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.9 m -49.27 -35.98 19.34 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.287 0.847 . . . . 10.0 113.287 -169.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.78 -48.07 80.73 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.2 0.909 . . . . 10.0 111.918 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 . . . . . 0 C--O 1.233 0.205 0 C-N-CA 122.808 0.443 . . . . 10.0 110.351 177.099 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.958 0 N-CA-C 110.299 -1.121 . . . . 10.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.05 -73.52 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 117.638 0.719 . . . . 10.0 110.246 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -84.47 -22.94 30.11 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.209 0.818 . . . . 10.0 113.209 -169.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -145.2 152.26 39.71 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.957 1.303 . . . . 10.0 107.532 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.9 59.07 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 118.395 0.543 . . . . 10.0 112.158 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -80.73 -9.73 59.78 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.857 1.263 . . . . 10.0 114.158 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -39.77 -49.99 2.35 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.798 1.239 . . . . 10.0 114.299 -169.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -55.76 -22.09 22.28 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 -174.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -67.18 -28.53 68.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.509 0.595 . . . . 10.0 111.992 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.53 100.85 4.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.332 0.586 . . . . 10.0 111.588 -169.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -85.89 165.05 17.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.507 1.523 . . . . 10.0 111.157 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -45.86 -42.38 12.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.657 1.983 . . . . 10.0 112.095 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.43 -46.43 90.14 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.76 -0.588 . . . . 10.0 110.77 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.19 -42.14 89.27 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -53.13 -46.45 68.78 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.092 0.405 . . . . 10.0 110.275 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.0 m -59.53 -49.13 78.98 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.156 0.982 . . . . 10.0 110.654 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -61.94 -40.39 95.38 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.826 -0.546 . . . . 10.0 110.759 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.03 -45.62 91.4 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.587 -0.696 . . . . 10.0 110.932 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.5 t -52.38 -47.0 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.442 -0.786 . . . . 10.0 109.773 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -56.25 -50.01 72.55 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.663 -0.648 . . . . 10.0 110.724 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -49.87 -47.07 52.11 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 118.727 -0.654 . . . . 10.0 111.152 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -52.98 -55.92 19.95 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.932 0.787 . . . . 10.0 109.988 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -53.24 -55.51 12.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.606 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -65.26 -36.12 83.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.084 1.311 . . . . 10.0 112.797 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.92 84.97 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.658 -0.651 . . . . 10.0 111.13 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.53 -54.22 17.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -133.93 93.25 20.68 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 127.761 2.424 . . . . 10.0 109.849 -169.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.5 81.43 0.42 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 123.443 2.762 . . . . 10.0 109.914 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.4 m -59.87 124.9 78.84 Favored Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 125.272 1.429 . . . . 10.0 111.037 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.94 -50.66 11.34 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.69 3.593 . . . . 10.0 114.5 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -143.43 134.8 12.71 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-O 117.819 -1.086 . . . . 10.0 109.13 -173.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -42.21 -44.44 7.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.804 3.003 . . . . 10.0 113.86 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.767 -0.583 . . . . 10.0 112.052 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.63 58.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.191 0.596 . . . . 10.0 111.559 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.9 mt -57.19 -22.04 37.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.186 0.594 . . . . 10.0 112.338 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -62.54 -28.1 69.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.478 0.581 . . . . 10.0 112.261 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.08 137.21 57.54 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.901 0.773 . . . . 10.0 110.55 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -50.06 -40.43 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.002 0.921 . . . . 10.0 112.62 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -53.55 -49.62 67.25 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 10.0 109.723 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.9 mmm -69.51 -44.06 71.82 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 118.908 -0.568 . . . . 10.0 109.812 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -49.19 -44.4 43.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.671 0.669 . . . . 10.0 110.624 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -59.95 -46.14 90.36 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.148 -0.345 . . . . 10.0 111.317 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.68 -40.53 95.56 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.736 -0.603 . . . . 10.0 110.911 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.15 -52.22 61.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 124.426 1.09 . . . . 10.0 108.853 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.75 -49.01 74.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.169 0.588 . . . . 10.0 110.928 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -52.0 -54.5 29.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.91 0.484 . . . . 10.0 110.273 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.32 86.04 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.225 0.61 . . . . 10.0 111.115 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.28 -53.99 50.69 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.076 0.398 . . . . 10.0 110.395 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -52.3 -55.59 20.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.788 0.835 . . . . 10.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.14 -51.6 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.142 0.977 . . . . 10.0 110.405 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -55.45 -48.95 73.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.115 0.87 . . . . 10.0 111.168 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.82 -54.23 32.05 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.58 -50.22 54.34 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.456 0.703 . . . . 10.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.8 mmt -59.24 -45.5 90.99 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 119.083 -0.484 . . . . 10.0 111.374 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.27 -51.89 60.81 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.357 0.526 . . . . 10.0 110.137 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.73 -32.75 72.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 m -69.86 -42.4 73.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.769 -0.582 . . . . 10.0 112.029 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.26 113.23 5.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.106 0.962 . . . . 10.0 113.023 -169.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -61.49 -23.03 65.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.07 0.948 . . . . 10.0 113.041 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 m -154.55 151.3 28.71 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.16 -0.962 . . . . 10.0 109.884 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -53.73 -51.01 64.68 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.705 0.764 . . . . 10.0 111.402 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.12 -44.68 21.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.042 0.537 . . . . 10.0 111.927 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.24 -48.32 76.26 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -49.34 -48.42 46.61 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.556 0.742 . . . . 10.0 111.317 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -60.52 -52.58 64.57 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.598 -0.689 . . . . 10.0 111.505 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -52.7 -64.36 0.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.165 0.586 . . . . 10.0 111.544 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.3 OUTLIER -63.0 -28.24 69.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.792 0.724 . . . . 10.0 112.824 -175.282 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.54 -58.18 7.81 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.716 1.144 . . . . 10.0 110.697 170.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.49 -44.46 76.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.912 -0.492 . . . . 10.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -55.95 -50.84 69.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.513 0.725 . . . . 10.0 110.231 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -55.57 -49.77 71.84 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.384 0.538 . . . . 10.0 110.696 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.2 mt -51.88 -51.16 30.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -56.08 -50.33 71.32 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -53.89 -49.49 68.44 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.963 -0.541 . . . . 10.0 111.184 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -51.14 -56.32 5.21 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 118.74 0.7 . . . . 10.0 109.79 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -65.43 -41.15 93.84 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 118.78 -1.168 . . . . 10.0 111.893 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -57.57 -47.8 81.1 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 120.488 -1.382 . . . . 10.0 110.636 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.01 -65.31 0.82 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.232 1.013 . . . . 10.0 111.094 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.1 tp -82.26 -12.81 57.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.468 1.907 . . . . 10.0 114.347 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 8.95 85.22 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 128.787 2.835 . . . . 10.0 114.222 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -114.37 -26.58 7.92 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 117.592 -1.194 . . . . 10.0 112.838 -174.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -17.07 -75.05 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.49 1.916 . . . . 10.0 114.879 -169.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -73.25 -32.42 64.7 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.528 -0.733 . . . . 10.0 112.243 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -67.68 -43.05 81.1 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.675 0.79 . . . . 10.0 110.776 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 p 0.1 -71.16 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 130.026 3.33 . . . . 10.0 114.978 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -30.32 -55.27 0.19 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.224 1.81 . . . . 10.0 112.837 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.2 tp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.258 -1.353 . . . . 10.0 110.093 177.149 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -47.53 5.47 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.603 1.161 . . . . 10.0 113.343 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.0 -45.61 82.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.216 0.606 . . . . 10.0 110.276 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.56 -44.86 89.42 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.6 mm -51.75 -57.65 3.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.657 0.742 . . . . 10.0 109.216 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpp? -66.75 -38.8 87.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.277 -0.874 . . . . 10.0 111.274 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -59.82 -54.85 41.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.613 1.097 . . . . 10.0 110.864 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.21 -43.34 87.61 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.234 -0.291 . . . . 10.0 110.405 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.15 -55.98 23.32 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.293 0.568 . . . . 10.0 110.97 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.1 tp -58.75 -38.06 77.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 125.195 1.398 . . . . 10.0 111.514 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 56.1 tp -45.51 -49.39 13.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.544 0.738 . . . . 10.0 110.695 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -68.15 -52.16 37.81 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.4 mtt -56.83 -36.29 69.81 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.493 0.717 . . . . 10.0 112.798 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 96.3 p -55.03 -46.35 75.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.776 0.83 . . . . 10.0 112.156 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -24.54 -69.5 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.51 2.324 . . . . 10.0 115.595 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.22 -38.87 71.61 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.787 -0.57 . . . . 10.0 111.852 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -63.95 -49.79 71.18 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.968 0.907 . . . . 10.0 108.82 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -54.68 -52.61 61.81 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.662 0.385 . . . . 10.0 110.141 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.23 -55.01 36.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.087 0.555 . . . . 10.0 111.009 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -63.86 -33.03 74.79 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.669 0.668 . . . . 10.0 111.035 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.87 -53.73 43.89 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.636 -0.986 . . . . 10.0 110.636 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.11 54.26 1.6 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.162 0.985 . . . . 10.0 110.276 -177.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -80.3 59.35 3.38 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.191 -0.943 . . . . 10.0 110.078 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -135.21 -61.04 0.75 Allowed 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.147 0.579 . . . . 10.0 112.236 -175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.872 -1.061 . . . . 10.0 112.457 -174.265 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 0 N-CA-C 111.829 -0.509 . . . . 10.0 111.829 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.13 60.94 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.048 0.939 . . . . 10.0 111.475 -176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -49.26 -44.92 44.18 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.344 1.457 . . . . 10.0 114.206 -170.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -97.61 5.64 49.16 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.87 0.868 . . . . 10.0 112.087 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -74.58 0.54 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -56.18 -23.11 33.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.512 1.525 . . . . 10.0 112.131 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.21 -33.18 5.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.165 1.386 . . . . 10.0 111.902 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.88 -28.46 36.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.802 0.841 . . . . 10.0 112.187 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -85.43 -57.42 3.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.806 0.842 . . . . 10.0 109.706 172.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.19 87.88 2.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.405 -169.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.9 p -80.89 166.41 20.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.462 1.505 . . . . 10.0 111.925 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -47.13 -43.91 21.12 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.852 2.061 . . . . 10.0 111.644 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -53.75 -54.72 34.2 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.347 0.659 . . . . 10.0 110.793 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.26 -41.79 96.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtt180 -53.79 -51.12 64.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.251 0.478 . . . . 10.0 110.309 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.5 t -60.09 -49.21 78.56 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.657 0.783 . . . . 10.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -61.05 -41.44 96.61 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.759 -0.588 . . . . 10.0 110.072 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.66 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.995 -1.066 . . . . 10.0 111.221 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 t -49.02 -50.05 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.806 0.73 . . . . 10.0 109.668 173.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -52.72 -51.11 61.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.017 -0.516 . . . . 10.0 110.924 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -56.76 -37.81 71.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.272 0.942 . . . . 10.0 112.355 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.08 -53.68 55.47 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 119.648 1.113 . . . . 10.0 109.506 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.2 t -52.08 -52.47 23.65 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-O 118.534 -0.746 . . . . 10.0 109.973 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -57.39 -50.96 71.31 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.163 0.892 . . . . 10.0 111.33 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.88 81.95 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.802 -0.561 . . . . 10.0 111.648 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.56 -41.76 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 122.896 0.478 . . . . 10.0 110.687 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -151.92 90.42 3.88 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 125.999 1.719 . . . . 10.0 110.049 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.05 121.29 9.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.435 2.09 . . . . 10.0 110.695 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.8 p -81.55 124.11 80.3 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 117.675 -1.155 . . . . 10.0 110.416 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.85 -39.03 31.45 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 123.516 2.811 . . . . 10.0 113.529 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -146.46 136.04 11.65 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -45.79 -42.37 19.65 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.266 2.644 . . . . 10.0 112.907 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.31 -24.84 20.74 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.678 -0.639 . . . . 10.0 112.641 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.12 67.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.814 -0.554 . . . . 10.0 112.221 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.0 mt -47.61 -38.0 13.71 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.117 0.967 . . . . 10.0 112.931 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -77.48 -5.86 51.43 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.91 143.8 57.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.315 0.961 . . . . 10.0 111.552 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -40.99 -43.25 2.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.756 1.622 . . . . 10.0 113.479 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -70.57 -58.0 4.15 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -52.99 -42.1 65.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.381 1.072 . . . . 10.0 112.103 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -46.0 -37.0 6.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.862 0.865 . . . . 10.0 112.579 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -65.06 -49.11 71.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.325 0.583 . . . . 10.0 110.516 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.92 -41.6 95.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.179 0.592 . . . . 10.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.8 -51.73 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.251 0.621 . . . . 10.0 109.523 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.88 75.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.805 0.442 . . . . 10.0 110.778 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -54.91 -51.28 66.53 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.71 0.232 . . . . 10.0 110.622 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.21 83.11 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.986 0.515 . . . . 10.0 111.052 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -54.72 -54.42 42.15 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -53.31 -54.18 40.22 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.408 0.683 . . . . 10.0 110.471 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -46.36 96.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 122.8 0.44 . . . . 10.0 110.44 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -56.47 -46.32 80.48 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.761 0.709 . . . . 10.0 110.609 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.84 -53.7 35.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.096 -0.802 . . . . 10.0 111.096 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -50.59 -50.67 53.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.91 0.884 . . . . 10.0 110.533 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.44 -46.15 91.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.169 -0.443 . . . . 10.0 111.085 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -53.42 -50.49 65.09 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.429 0.559 . . . . 10.0 110.211 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.72 -41.7 95.79 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.395 0.278 . . . . 10.0 111.624 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 m -66.22 -35.47 80.53 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.59 108.18 4.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -169.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -54.97 -34.79 63.63 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.369 1.067 . . . . 10.0 112.456 169.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -141.85 162.5 35.32 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.488 1.115 . . . . 10.0 109.918 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -57.61 -44.5 85.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.103 0.561 . . . . 10.0 110.125 169.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -50.59 -53.09 33.33 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.897 0.479 . . . . 10.0 110.513 173.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -55.84 -53.45 56.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.13 -50.97 26.8 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.565 1.146 . . . . 10.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -60.5 -52.01 67.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.852 -0.53 . . . . 10.0 111.07 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -53.23 -62.27 1.76 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.671 0.388 . . . . 10.0 111.971 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -65.31 -29.02 69.73 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.699 -0.667 . . . . 10.0 112.761 -175.586 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.3 mt -66.05 -53.98 31.6 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.94 1.246 . . . . 10.0 110.991 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.77 78.07 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.915 -0.491 . . . . 10.0 109.995 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.65 -44.25 90.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.213 0.605 . . . . 10.0 110.931 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -56.42 -52.89 62.96 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.83 0.741 . . . . 10.0 110.49 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.4 mt -51.46 -54.25 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.133 0.492 . . . . 10.0 110.111 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -51.48 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.769 1.228 . . . . 10.0 109.271 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mmpp? -52.25 -51.89 55.75 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.802 -1.094 . . . . 10.0 111.087 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -54.42 -56.84 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 120.653 1.569 . . . . 10.0 109.548 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.55 -27.08 62.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 10.0 112.685 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -79.4 -69.85 0.55 Allowed 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.333 -0.854 . . . . 10.0 110.207 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -46.84 -48.62 20.88 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 127.209 2.204 . . . . 10.0 112.455 -173.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.81 -62.9 1.28 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -51.66 -45.63 63.47 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.493 0.717 . . . . 10.0 111.665 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -81.21 -0.29 39.9 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.296 0.851 . . . . 10.0 113.296 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -46.17 -45.03 16.47 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.138 0.975 . . . . 10.0 111.569 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -47.59 -45.26 27.19 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.751 1.221 . . . . 10.0 111.486 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -73.71 -44.26 56.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.001 0.521 . . . . 10.0 109.779 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -53.09 -34.49 56.85 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -30.24 45.1 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 173.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.302 -1.332 . . . . 10.0 109.61 -176.617 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -46.49 4.99 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.082 0.953 . . . . 10.0 112.858 172.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -53.3 57.7 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.799 0.84 . . . . 10.0 108.851 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -56.08 -49.95 72.38 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 125.455 1.502 . . . . 10.0 109.291 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.52 -51.2 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.67 -48.59 68.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.295 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -60.93 -41.52 96.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.489 1.04 . . . . 10.0 110.863 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.19 -54.03 50.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.184 0.593 . . . . 10.0 110.389 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.04 -52.57 65.17 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.449 0.642 . . . . 10.0 110.124 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.12 -43.86 91.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.407 1.483 . . . . 10.0 111.215 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.1 tp -49.62 -55.18 14.55 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.339 0.656 . . . . 10.0 110.96 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.5 -52.7 63.43 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.0 mtt -49.51 -39.31 33.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.705 0.802 . . . . 10.0 112.327 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -68.64 -11.32 59.95 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.308 -0.87 . . . . 10.0 112.888 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 20.8 m -60.21 -48.31 82.26 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.764 1.166 . . . . 10.0 110.16 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.53 -43.03 99.81 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.715 -0.616 . . . . 10.0 110.33 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.67 -36.65 57.39 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.024 0.375 . . . . 10.0 110.689 177.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.86 -56.7 4.64 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.268 1.027 . . . . 10.0 111.539 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.32 -32.03 26.53 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 116.545 2.054 . . . . 10.0 116.545 -168.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -57.42 -39.27 75.85 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.928 1.455 . . . . 10.0 114.928 -168.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.81 -75.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.196 0.903 . . . . 10.0 112.001 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -119.63 -16.04 8.88 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.487 1.515 . . . . 10.0 111.9 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.16 73.61 1.76 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.478 1.035 . . . . 10.0 110.919 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.8 147.72 45.46 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.608 -0.683 . . . . 10.0 111.05 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.602 -1.666 . . . . 10.0 112.201 -179.72 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 112.071 -0.412 . . . . 10.0 112.071 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.51 47.81 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.706 1.202 . . . . 10.0 113.187 -171.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -45.44 -43.49 11.45 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.535 1.534 . . . . 10.0 114.537 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -96.22 6.18 49.39 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.427 0.691 . . . . 10.0 112.283 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.11 -72.99 0.9 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 120.97 -1.081 . . . . 10.0 110.999 -171.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -50.19 -36.43 30.5 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.166 1.386 . . . . 10.0 112.207 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -35.5 -43.43 0.26 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.794 2.037 . . . . 10.0 111.844 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.41 -36.59 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.065 0.946 . . . . 10.0 112.993 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.71 -44.79 55.45 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.554 0.692 . . . . 10.0 109.496 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.16 87.87 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 121.794 0.807 . . . . 10.0 109.714 -173.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.6 p -69.59 166.0 19.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.651 1.18 . . . . 10.0 112.198 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -50.86 -39.87 54.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.531 -1.213 . . . . 10.0 111.266 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.94 -51.03 71.33 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.507 0.594 . . . . 10.0 110.288 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.52 -44.53 94.03 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 119.185 -0.436 . . . . 10.0 110.206 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -49.84 -53.48 25.3 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.861 0.755 . . . . 10.0 110.682 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 m -58.35 -44.41 88.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.425 1.49 . . . . 10.0 110.712 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.01 -44.7 91.8 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.867 -0.521 . . . . 10.0 110.754 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.84 -45.17 93.86 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.31 -0.869 . . . . 10.0 110.96 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 t -49.68 -48.43 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.679 0.792 . . . . 10.0 109.847 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -56.04 -51.05 69.19 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.609 -0.682 . . . . 10.0 110.966 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -50.84 -43.94 59.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.743 0.701 . . . . 10.0 111.871 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.25 -52.12 66.6 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.028 0.831 . . . . 10.0 110.671 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -53.23 -48.84 54.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.747 0.703 . . . . 10.0 110.262 176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.4 -44.52 89.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.483 0.583 . . . . 10.0 111.311 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.07 99.73 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.639 -0.663 . . . . 10.0 111.686 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.42 -39.24 83.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.638 0.775 . . . . 10.0 110.482 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -165.81 94.42 0.82 Allowed Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 10.0 110.123 -168.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.48 105.5 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.296 2.664 . . . . 10.0 111.037 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 m -76.24 122.52 86.94 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.792 1.237 . . . . 10.0 110.838 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -48.37 -56.94 2.67 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.345 3.363 . . . . 10.0 113.702 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -134.3 126.98 18.69 Favored Pre-proline 0 N--CA 1.45 -0.438 0 C-N-CA 124.652 1.181 . . . . 10.0 108.251 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -42.34 -42.54 7.79 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 124.334 3.356 . . . . 10.0 114.015 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.28 -35.36 12.02 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.922 0.712 . . . . 10.0 112.922 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.43 49.51 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.645 0.778 . . . . 10.0 112.313 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -54.28 -24.81 20.34 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.447 0.699 . . . . 10.0 111.914 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.37 -12.8 61.83 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.62 143.48 28.41 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.6 1.091 . . . . 10.0 112.134 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -51.01 -39.5 55.94 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.832 1.653 . . . . 10.0 112.637 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.99 -57.41 13.22 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mmm -60.01 -38.48 82.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.784 -0.572 . . . . 10.0 111.108 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -49.37 -35.92 20.19 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.664 0.785 . . . . 10.0 111.853 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.86 -45.16 79.01 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.806 -0.559 . . . . 10.0 110.997 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.24 -46.05 88.71 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.797 -0.565 . . . . 10.0 109.644 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.76 -50.55 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.926 0.89 . . . . 10.0 109.902 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.24 74.31 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.225 0.61 . . . . 10.0 111.07 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.0 -51.52 56.79 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.768 0.427 . . . . 10.0 110.289 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.91 84.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.169 0.587 . . . . 10.0 111.832 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -55.19 -52.34 63.66 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.502 0.721 . . . . 10.0 110.234 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.18 -59.24 4.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.824 0.85 . . . . 10.0 110.171 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -46.74 93.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.231 -172.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -57.76 -42.21 83.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.357 -0.839 . . . . 10.0 110.435 173.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.96 -55.64 20.18 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.391 -1.084 . . . . 10.0 110.391 171.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.27 -47.74 62.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.323 0.561 . . . . 10.0 111.313 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.0 mmt -60.94 -47.83 84.64 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 122.127 -0.358 . . . . 10.0 111.607 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.13 -39.92 76.1 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.983 1.313 . . . . 10.0 110.749 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.7 -47.04 64.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.847 0.859 . . . . 10.0 111.525 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -72.95 -29.88 63.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.556 0.947 . . . . 10.0 113.556 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.18 117.23 16.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 122.17 0.986 . . . . 10.0 112.9 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -82.8 -12.42 57.5 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.657 1.183 . . . . 10.0 112.041 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.6 t -150.68 161.87 41.77 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.241 1.016 . . . . 10.0 108.662 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.85 -41.75 92.1 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.704 1.202 . . . . 10.0 110.078 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -54.14 -47.68 71.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.593 0.357 . . . . 10.0 111.386 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -60.06 -52.58 64.75 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -46.92 -51.32 17.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.88 0.872 . . . . 10.0 111.914 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.57 -48.6 76.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.796 -0.565 . . . . 10.0 111.618 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -53.72 -60.93 2.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.414 0.552 . . . . 10.0 112.06 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.355 0.4 OUTLIER -66.87 -30.03 70.09 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.888 0.767 . . . . 10.0 112.59 -174.703 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.07 -50.52 65.83 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.737 1.153 . . . . 10.0 111.223 170.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -48.81 76.03 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.929 -0.482 . . . . 10.0 110.067 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.89 -46.13 74.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.317 1.047 . . . . 10.0 111.054 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -57.36 -52.88 63.56 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.684 0.675 . . . . 10.0 110.344 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.1 mt -51.64 -53.31 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.874 -0.516 . . . . 10.0 110.869 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -51.36 57.97 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.013 1.325 . . . . 10.0 109.387 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -56.19 -51.27 68.65 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.962 0.905 . . . . 10.0 111.553 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -52.99 -55.88 10.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 119.682 1.128 . . . . 10.0 109.632 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.12 -34.76 73.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -70.55 -52.22 23.15 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.202 0.91 . . . . 10.0 111.24 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -71.0 -54.36 11.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.119 1.368 . . . . 10.0 111.123 -172.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 mp -80.35 -28.45 38.06 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.706 0.803 . . . . 10.0 112.685 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 23.13 -86.62 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 128.263 2.625 . . . . 10.0 115.976 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.9 pm0 -70.36 57.07 0.17 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.362 1.616 . . . . 10.0 115.362 -169.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -78.18 -67.7 0.71 Allowed 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 120.49 -1.381 . . . . 10.0 111.029 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -60.03 -26.59 66.23 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.413 -0.804 . . . . 10.0 112.411 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.8 mtm-85 -87.16 -8.57 56.79 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t -158.7 -77.66 0.07 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.041 0.837 . . . . 10.0 111.254 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.2 mtm105 -80.8 65.91 6.12 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.588 -0.695 . . . . 10.0 111.231 -171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.398 -1.287 . . . . 10.0 112.363 -176.283 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.536 0.207 . . . . 10.0 111.237 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -49.14 1.8 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.129 1.372 . . . . 10.0 114.377 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -59.04 -45.05 91.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.117 0.567 . . . . 10.0 110.705 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -62.3 -46.17 89.94 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.23 -51.03 59.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.924 0.489 . . . . 10.0 110.651 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -66.93 -49.78 64.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.791 -0.568 . . . . 10.0 111.125 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -53.09 -47.97 68.12 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.287 0.494 . . . . 10.0 110.528 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.69 -53.46 58.1 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.63 0.772 . . . . 10.0 111.209 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.06 -49.36 78.16 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.108 0.48 . . . . 10.0 109.929 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.29 -43.36 96.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.428 1.091 . . . . 10.0 111.67 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.63 -48.51 63.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.268 0.627 . . . . 10.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.32 -54.08 38.77 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.8 mtt -47.47 -44.77 25.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.893 0.877 . . . . 10.0 111.621 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t -63.85 -9.61 15.92 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.172 1.389 . . . . 10.0 113.633 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 61.0 m -55.53 -31.81 62.41 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 119.935 1.243 . . . . 10.0 112.017 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -47.03 -44.27 20.4 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.863 0.756 . . . . 10.0 111.08 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.32 -47.12 14.99 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.559 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -63.22 -29.31 70.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.727 0.694 . . . . 10.0 111.948 -172.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 50.4 tp -53.4 -40.07 64.8 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.111 0.964 . . . . 10.0 110.533 170.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -79.47 -57.31 3.76 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.43 -0.952 . . . . 10.0 108.43 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -74.7 59.63 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.345 1.45 . . . . 10.0 111.549 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.87 75.27 0.62 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.058 1.743 . . . . 10.0 111.928 -171.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 67.95 0.4 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.405 1.082 . . . . 10.0 113.388 -175.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.67 64.26 0.9 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.928 1.291 . . . . 10.0 111.806 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.252 1.227 0 CA-C-O 117.519 -1.229 . . . . 10.0 111.258 177.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.229 0 N-CA-C 111.339 -0.705 . . . . 10.0 111.339 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.8 m -76.47 57.0 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 124.432 1.093 . . . . 10.0 111.326 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -38.09 -57.59 1.05 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.983 2.113 . . . . 10.0 113.845 -169.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -94.48 9.63 37.72 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.385 0.674 . . . . 10.0 112.283 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.3 -76.53 0.48 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 109.917 -1.273 . . . . 10.0 109.917 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -50.54 -34.96 27.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.861 1.264 . . . . 10.0 111.021 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -32.15 -45.08 0.1 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.675 2.39 . . . . 10.0 112.083 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -50.11 -37.44 34.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.634 0.774 . . . . 10.0 112.616 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -78.23 -52.74 8.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.947 0.88 . . . . 10.0 109.336 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.15 77.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-O 122.823 1.297 . . . . 10.0 109.7 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.2 p -75.1 162.93 28.09 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.647 1.979 . . . . 10.0 110.343 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -50.11 -36.92 31.66 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.376 0.671 . . . . 10.0 112.092 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.95 -48.18 80.71 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.365 0.984 . . . . 10.0 110.851 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.86 -43.44 83.56 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -51.63 -48.54 63.29 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.633 0.651 . . . . 10.0 110.643 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.5 m -59.82 -47.28 86.34 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.648 1.579 . . . . 10.0 110.8 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -58.68 -45.42 89.47 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.986 -0.446 . . . . 10.0 109.898 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.02 -45.53 91.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.256 -0.902 . . . . 10.0 111.238 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.7 t -50.96 -50.03 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.529 -0.732 . . . . 10.0 110.239 170.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -54.79 -48.68 72.4 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.632 -0.667 . . . . 10.0 110.186 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -56.02 -41.22 74.6 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-O 118.354 -0.832 . . . . 10.0 112.3 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.96 -54.05 47.77 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.805 1.184 . . . . 10.0 108.954 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -53.55 -52.88 29.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 CA-C-O 118.271 -0.871 . . . . 10.0 110.099 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -58.35 -51.78 68.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.519 1.054 . . . . 10.0 112.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.22 82.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.2 0.6 . . . . 10.0 111.066 -172.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.37 -51.54 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 109.95 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -141.27 90.64 9.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 127.465 2.306 . . . . 10.0 110.667 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.71 123.82 14.62 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.498 2.132 . . . . 10.0 110.843 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.8 p -91.92 119.99 68.1 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 117.835 -1.078 . . . . 10.0 110.256 -175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -49.12 -40.57 41.85 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.531 2.82 . . . . 10.0 113.938 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.16 134.46 11.31 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 117.8 -1.095 . . . . 10.0 108.736 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.42 -42.67 13.91 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.592 2.861 . . . . 10.0 113.577 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.8 52.29 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.513 -0.742 . . . . 10.0 112.033 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -26.09 51.79 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.263 0.625 . . . . 10.0 111.758 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -52.66 -26.73 14.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.254 0.622 . . . . 10.0 112.22 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -67.66 -21.87 65.33 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.52 133.55 55.84 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.404 -0.81 . . . . 10.0 110.215 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -47.37 -43.95 23.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.228 1.011 . . . . 10.0 113.409 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.6 96.29 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.496 -0.752 . . . . 10.0 109.757 177.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.65 -44.11 94.79 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.086 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.2 -41.6 68.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.418 1.008 . . . . 10.0 110.824 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -61.19 -48.8 79.89 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.792 -0.568 . . . . 10.0 111.617 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.79 -40.89 96.81 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.64 -51.04 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.658 1.583 . . . . 10.0 109.017 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.82 76.12 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.192 0.451 . . . . 10.0 110.85 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.06 -51.81 65.16 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.29 0.236 . . . . 10.0 110.4 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.38 80.54 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.241 0.617 . . . . 10.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.14 -54.11 50.47 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.094 0.558 . . . . 10.0 110.438 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -52.88 -54.18 38.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.508 0.723 . . . . 10.0 110.326 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -46.42 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.465 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.3 -43.08 74.49 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.405 1.002 . . . . 10.0 110.857 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.02 -54.66 27.79 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.02 -47.64 64.91 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.77 0.428 . . . . 10.0 110.851 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.17 -47.76 84.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.834 0.454 . . . . 10.0 111.304 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -53.04 -44.67 67.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.433 1.093 . . . . 10.0 110.101 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.92 -41.5 64.5 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.903 0.705 . . . . 10.0 112.903 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -65.17 -41.77 94.31 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.447 -0.783 . . . . 10.0 111.279 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.55 99.01 7.86 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.518 0.727 . . . . 10.0 112.324 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.73 37.26 0.23 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.48 -1.388 . . . . 10.0 111.774 172.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -173.84 152.15 1.94 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.772 1.629 . . . . 10.0 108.837 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -59.56 -42.51 92.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.515 0.726 . . . . 10.0 110.061 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.29 -57.22 11.31 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.363 1.065 . . . . 10.0 109.729 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -56.94 -48.4 78.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.82 -51.03 59.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.936 0.494 . . . . 10.0 111.817 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -58.36 -50.63 72.98 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.883 -0.511 . . . . 10.0 110.752 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -52.6 -61.97 1.94 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.337 0.5 OUTLIER -66.15 -28.79 69.05 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.004 0.82 . . . . 10.0 112.81 -174.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.0 mt -64.48 -53.03 54.52 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.772 1.169 . . . . 10.0 110.235 171.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.11 79.15 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.03 -0.419 . . . . 10.0 110.392 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.3 -44.96 84.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.469 0.708 . . . . 10.0 110.815 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -56.93 -52.52 64.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.37 0.532 . . . . 10.0 110.235 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.13 -54.74 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 121.325 0.583 . . . . 10.0 110.148 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -54.59 21.31 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.353 1.461 . . . . 10.0 109.186 -177.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.61 -52.77 64.06 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.134 0.973 . . . . 10.0 110.77 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -47.89 -59.91 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 119.615 1.098 . . . . 10.0 109.147 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -52.39 -55.09 24.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.762 -0.375 . . . . 10.0 111.156 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -58.17 -61.58 2.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.293 0.637 . . . . 10.0 112.688 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -51.64 -55.01 21.85 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.836 1.255 . . . . 10.0 109.75 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.83 -42.02 99.56 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.666 0.786 . . . . 10.0 110.065 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.49 -66.22 0.55 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.968 0.507 . . . . 10.0 110.124 175.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.24 -45.6 90.82 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.652 1.181 . . . . 10.0 112.407 -169.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.55 -44.69 11.08 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 117.986 0.357 . . . . 10.0 111.961 -173.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.3 ttt-85 -96.37 -73.9 0.58 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.45 0.568 . . . . 10.0 110.493 -171.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -56.44 -35.87 68.36 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.068 0.947 . . . . 10.0 111.899 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.1 t -41.17 -47.56 3.3 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.1 1.36 . . . . 10.0 111.636 170.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -83.66 -58.33 2.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.448 1.499 . . . . 10.0 108.921 -179.525 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 111.15 0.056 . . . . 10.0 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -43.4 -54.37 4.78 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.996 1.318 . . . . 10.0 113.356 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.54 -39.92 92.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.55 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -48.76 78.79 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.76 -53.03 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.253 0.621 . . . . 10.0 110.005 174.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.41 -51.26 64.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.218 -0.42 . . . . 10.0 110.979 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -52.7 -49.32 65.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.419 0.554 . . . . 10.0 110.429 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.22 -50.21 73.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.082 0.953 . . . . 10.0 110.881 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.19 -53.35 59.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.618 0.723 . . . . 10.0 110.225 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.18 -40.73 82.25 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.026 1.33 . . . . 10.0 111.862 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.9 tp -47.8 -49.8 27.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.953 0.901 . . . . 10.0 111.002 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.04 -51.0 43.53 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 64.0 mtt -52.44 -38.57 59.53 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.571 -0.706 . . . . 10.0 112.127 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -62.3 -9.96 9.59 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -56.48 -34.42 66.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.681 1.128 . . . . 10.0 112.055 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.07 -53.76 48.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.703 1.138 . . . . 10.0 110.391 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.91 -50.21 74.88 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.18 0.992 . . . . 10.0 109.7 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.67 -48.67 80.28 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.353 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 tp -57.78 -55.14 38.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.393 1.477 . . . . 10.0 110.275 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -64.46 -36.22 83.47 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.264 -0.574 . . . . 10.0 111.149 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.15 -58.64 12.57 Favored Glycine 0 CA--C 1.532 1.149 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 172.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -45.57 -48.89 14.41 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.675 1.59 . . . . 10.0 110.835 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.93 34.96 1.79 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.385 1.074 . . . . 10.0 111.042 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.43 90.97 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.551 -0.718 . . . . 10.0 110.433 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 60.6 tp . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.019 -1.467 . . . . 10.0 109.365 173.033 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 N-CA-C 111.485 -0.646 . . . . 10.0 111.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.2 m -73.71 56.94 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.747 1.219 . . . . 10.0 112.816 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.6 111.78 14.74 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.26 1.424 . . . . 10.0 107.965 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -142.13 7.3 1.79 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.622 0.769 . . . . 10.0 112.703 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.9 -63.71 3.78 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.003 -1.639 . . . . 10.0 109.003 -170.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -62.15 -26.52 68.37 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.867 0.467 . . . . 10.0 111.681 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -43.78 -46.96 7.95 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.789 1.236 . . . . 10.0 112.066 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.74 -29.3 64.64 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.743 0.817 . . . . 10.0 112.383 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -75.85 -14.93 60.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.745 0.818 . . . . 10.0 111.3 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -129.62 84.04 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.848 1.259 . . . . 10.0 108.433 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -74.17 165.46 25.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.512 1.125 . . . . 10.0 111.535 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -49.46 -39.67 34.2 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.906 -1.043 . . . . 10.0 111.992 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.09 -47.16 86.27 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.365 0.984 . . . . 10.0 110.642 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.94 -43.97 86.43 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -51.84 -48.25 64.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.337 0.517 . . . . 10.0 110.784 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 61.5 m -63.31 -45.92 89.11 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.109 1.363 . . . . 10.0 110.674 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -67.61 -32.55 73.35 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.457 -0.777 . . . . 10.0 110.698 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.63 -43.51 89.28 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 120.616 -1.303 . . . . 10.0 110.814 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -51.34 -48.11 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -53.37 -51.55 62.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.098 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -53.22 -43.23 67.09 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.506 0.593 . . . . 10.0 111.571 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 mt -57.28 -53.2 60.81 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 119.161 0.892 . . . . 10.0 110.206 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.59 -49.16 34.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.503 -0.76 . . . . 10.0 109.729 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -62.51 -46.23 89.37 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.288 0.949 . . . . 10.0 111.897 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.5 86.35 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.849 0.86 . . . . 10.0 111.523 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.99 -43.75 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.167 0.587 . . . . 10.0 110.473 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -147.68 92.65 4.71 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.262 1.825 . . . . 10.0 110.701 -168.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -60.18 109.96 0.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 121.837 1.691 . . . . 10.0 108.812 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 m -79.92 125.7 81.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 123.776 0.83 . . . . 10.0 110.808 -169.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.72 -48.83 18.9 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.329 3.352 . . . . 10.0 113.987 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -151.68 137.56 11.22 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 117.492 -1.242 . . . . 10.0 108.05 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -42.49 -43.96 8.28 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.518 2.812 . . . . 10.0 113.712 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.92 60.2 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.728 -0.608 . . . . 10.0 112.011 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.78 42.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.575 0.75 . . . . 10.0 112.063 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.74 -17.92 10.73 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -59.87 -30.31 68.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.935 0.789 . . . . 10.0 112.587 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.99 133.42 55.32 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.841 -0.537 . . . . 10.0 110.058 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -45.67 -45.49 14.13 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.535 1.134 . . . . 10.0 112.354 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -48.81 -55.72 10.79 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.325 1.05 . . . . 10.0 110.245 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.46 -43.86 80.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.508 -176.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -51.57 -45.45 63.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.957 0.799 . . . . 10.0 110.499 175.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -64.37 -45.98 85.35 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.86 -0.525 . . . . 10.0 111.034 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.4 -39.28 92.72 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.511 -0.743 . . . . 10.0 111.116 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -59.91 -50.18 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 126.229 1.811 . . . . 10.0 108.235 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.76 -49.47 70.79 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.176 0.444 . . . . 10.0 110.781 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -55.25 -49.87 70.94 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.011 0.369 . . . . 10.0 110.824 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.08 86.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.802 0.441 . . . . 10.0 111.137 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.63 -53.36 55.79 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.513 0.725 . . . . 10.0 110.042 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.25 -52.9 59.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.015 0.526 . . . . 10.0 110.917 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -47.36 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 122.052 -0.405 . . . . 10.0 110.694 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -56.84 -45.47 82.36 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.564 -0.71 . . . . 10.0 110.445 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.06 22.99 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.574 -1.011 . . . . 10.0 110.574 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -51.16 -49.5 60.76 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.286 0.634 . . . . 10.0 110.893 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.3 mmt -58.23 -48.04 81.63 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.61 -0.233 . . . . 10.0 111.074 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -56.5 -47.96 78.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.243 0.617 . . . . 10.0 110.738 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.46 -34.63 77.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.519 0.728 . . . . 10.0 111.802 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.3 t -71.72 -48.11 49.36 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.539 0.685 . . . . 10.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.45 108.29 2.76 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.208 1.003 . . . . 10.0 113.093 -169.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -6.25 41.78 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.447 -0.783 . . . . 10.0 112.421 175.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.8 m -155.5 152.66 29.18 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.675 -1.266 . . . . 10.0 110.196 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -54.97 -47.97 73.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.653 1.181 . . . . 10.0 111.798 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -51.03 -46.92 61.74 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.957 -0.464 . . . . 10.0 111.073 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.2 -51.54 69.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -49.36 -47.94 47.11 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.301 0.64 . . . . 10.0 111.874 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.88 -47.92 73.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.873 -0.517 . . . . 10.0 111.195 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -53.34 -61.52 2.25 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.338 0.3 OUTLIER -64.79 -29.35 70.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.994 0.815 . . . . 10.0 112.394 -173.541 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.22 -51.67 55.4 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.491 1.041 . . . . 10.0 111.082 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.18 85.19 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.776 -0.577 . . . . 10.0 110.301 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.25 -51.07 67.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.086 0.954 . . . . 10.0 110.307 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -51.52 -53.08 41.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.369 0.531 . . . . 10.0 110.118 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.4 mt -53.66 -51.8 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 117.923 0.329 . . . . 10.0 111.254 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -49.53 -57.23 7.45 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.029 1.332 . . . . 10.0 109.183 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -56.7 -50.61 71.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.904 -0.569 . . . . 10.0 111.321 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.3 mt -49.78 -59.3 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 118.697 0.681 . . . . 10.0 109.786 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -52.9 -52.52 57.32 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.977 0.353 . . . . 10.0 110.679 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -55.53 -40.03 71.31 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -73.66 -59.82 2.54 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.161 0.505 . . . . 10.0 110.168 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.3 -39.29 63.86 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.451 1.1 . . . . 10.0 111.642 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -72.61 -9.75 58.96 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 117.591 -1.195 . . . . 10.0 114.203 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -32.53 -51.4 0.27 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 116.023 1.861 . . . . 10.0 116.023 -169.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -73.08 75.3 1.23 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 170.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -74.65 -158.05 0.07 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.71 1.204 . . . . 10.0 108.779 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.06 70.3 0.06 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.291 1.436 . . . . 10.0 110.116 171.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -77.81 56.89 1.59 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.548 1.939 . . . . 10.0 112.366 -169.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -77.38 61.51 2.22 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.788 0.835 . . . . 10.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.095 -1.431 . . . . 10.0 108.827 -179.38 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.554 -0.165 . . . . 10.0 110.554 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -35.24 -52.54 0.6 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.904 1.682 . . . . 10.0 114.546 -178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -60.42 -46.07 91.33 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.856 0.463 . . . . 10.0 110.664 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -43.88 96.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.627 0.771 . . . . 10.0 109.15 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.26 -54.77 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.888 0.475 . . . . 10.0 109.775 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -65.48 -44.68 86.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.275 -0.266 . . . . 10.0 110.695 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -54.45 -53.34 55.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.179 0.592 . . . . 10.0 110.232 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.11 -51.47 69.18 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.576 0.351 . . . . 10.0 110.948 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.51 -49.95 74.67 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.398 0.679 . . . . 10.0 110.171 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.28 -43.6 98.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.554 1.142 . . . . 10.0 111.283 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.9 tp -46.07 -52.76 11.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.344 1.058 . . . . 10.0 112.159 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.67 -52.0 67.53 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 76.5 mtp -54.59 -43.94 72.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.637 0.775 . . . . 10.0 110.201 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -59.97 -14.99 18.56 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 10.0 112.849 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -53.03 -35.08 59.07 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.9 -1.125 . . . . 10.0 109.923 169.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.01 -28.56 69.66 Favored 'General case' 0 C--O 1.224 -0.263 0 O-C-N 121.635 -0.665 . . . . 10.0 111.764 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.43 -53.39 12.35 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 171.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -48.44 -43.1 34.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.808 0.843 . . . . 10.0 111.649 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.49 15.72 24.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.347 1.459 . . . . 10.0 112.957 -173.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -37.14 -72.89 0.05 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.635 1.574 . . . . 10.0 114.294 -170.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 26.48 -108.23 0.01 OUTLIER Glycine 0 CA--C 1.532 1.104 0 C-N-CA 126.387 1.946 . . . . 10.0 113.617 -175.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -85.68 -45.96 11.18 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.825 0.85 . . . . 10.0 110.276 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -55.78 -31.65 62.78 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.784 1.234 . . . . 10.0 112.307 -169.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -129.2 49.91 2.2 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.591 0.756 . . . . 10.0 109.409 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.232 -1.366 . . . . 10.0 110.924 175.631 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.266 0 N-CA-C 111.064 -0.814 . . . . 10.0 111.064 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.9 t -74.68 72.93 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 123.465 0.706 . . . . 10.0 109.383 -176.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -73.59 70.22 1.3 Allowed 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.927 1.291 . . . . 10.0 111.459 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 10.36 11.11 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.348 1.059 . . . . 10.0 111.748 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.02 -65.56 3.75 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -64.63 -25.48 67.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.777 0.431 . . . . 10.0 111.029 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -39.73 -47.24 2.01 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.852 1.661 . . . . 10.0 111.569 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.62 -37.06 11.85 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 126.517 1.927 . . . . 10.0 112.812 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -69.24 -26.91 65.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.957 0.903 . . . . 10.0 111.58 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.1 t -116.32 94.35 3.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.351 1.06 . . . . 10.0 108.897 -172.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 p -82.23 166.93 19.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.38 1.472 . . . . 10.0 110.983 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -45.65 -41.87 10.81 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.945 1.298 . . . . 10.0 112.356 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.25 -47.93 83.88 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.53 -0.731 . . . . 10.0 110.999 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -67.54 -40.61 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.829 -0.544 . . . . 10.0 109.534 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -53.57 -50.93 64.51 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.71 -0.619 . . . . 10.0 109.8 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.8 m -55.28 -49.24 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.927 1.291 . . . . 10.0 111.133 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -57.43 -50.57 72.6 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.289 0.635 . . . . 10.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -61.72 -45.77 92.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.207 0.603 . . . . 10.0 110.953 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.87 -50.63 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.26 0.624 . . . . 10.0 110.002 171.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.38 -48.13 74.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.857 -0.527 . . . . 10.0 109.919 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.58 -41.59 77.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.42 -0.8 . . . . 10.0 112.347 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.55 -54.61 38.95 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.681 1.128 . . . . 10.0 109.021 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -53.86 -51.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 CA-C-O 118.624 -0.703 . . . . 10.0 109.774 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.62 -47.7 84.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 119.153 0.888 . . . . 10.0 111.45 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.62 98.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.976 -0.453 . . . . 10.0 111.015 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.23 -42.26 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.127 0.571 . . . . 10.0 110.569 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -150.78 88.79 4.49 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 126.77 2.028 . . . . 10.0 109.967 -168.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -53.04 114.89 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.71 2.274 . . . . 10.0 110.346 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -85.74 127.09 64.07 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 123.591 0.756 . . . . 10.0 109.303 -169.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.43 -48.3 19.32 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 124.097 3.198 . . . . 10.0 114.039 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -156.89 143.14 13.08 Favored Pre-proline 0 N--CA 1.456 -0.167 0 CA-C-O 117.459 -1.258 . . . . 10.0 107.638 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -42.75 -44.16 8.86 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.224 2.616 . . . . 10.0 113.659 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.44 -33.54 54.49 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.643 -0.661 . . . . 10.0 112.236 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.62 -25.42 60.09 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.4 0.68 . . . . 10.0 111.765 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.65 -17.67 16.07 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.24 -20.31 66.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.851 0.75 . . . . 10.0 112.769 173.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -64.81 144.79 57.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.141 0.882 . . . . 10.0 110.327 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -41.02 71.81 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.704 -0.622 . . . . 10.0 112.368 -171.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.58 -44.5 90.48 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.381 -0.824 . . . . 10.0 109.006 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.2 tpt -56.37 -48.02 77.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.039 0.535 . . . . 10.0 110.172 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.07 -43.31 73.79 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.122 0.969 . . . . 10.0 110.983 174.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.04 -42.14 97.92 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.671 -0.643 . . . . 10.0 110.76 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -43.19 96.72 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.524 -0.735 . . . . 10.0 110.191 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.71 -49.35 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 122.977 0.511 . . . . 10.0 109.917 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.15 76.8 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.996 0.518 . . . . 10.0 110.672 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -52.67 -51.35 60.6 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.664 0.386 . . . . 10.0 110.239 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.35 84.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.564 0.346 . . . . 10.0 111.026 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -54.29 -53.5 52.97 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.041 0.536 . . . . 10.0 110.281 174.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.65 -54.12 45.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.343 0.657 . . . . 10.0 110.564 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -45.28 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 122.789 0.436 . . . . 10.0 110.47 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.82 -46.54 78.07 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.827 0.739 . . . . 10.0 110.862 173.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -51.7 43.31 Favored Glycine 0 CA--C 1.533 1.183 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -53.77 -48.29 69.88 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.97 -0.723 . . . . 10.0 110.744 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.5 mmt -59.75 -45.17 93.06 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.453 -0.308 . . . . 10.0 111.308 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -55.63 -46.12 77.47 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.15 0.58 . . . . 10.0 110.269 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.5 -40.99 89.53 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.544 0.737 . . . . 10.0 111.319 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -71.76 -46.53 58.1 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.271 0.558 . . . . 10.0 111.838 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 113.42 2.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.911 1.285 . . . . 10.0 113.985 -169.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -61.62 -30.87 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.815 0.846 . . . . 10.0 112.747 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 m -140.57 157.22 45.79 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.633 1.173 . . . . 10.0 109.868 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -55.58 -49.54 72.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.857 0.837 . . . . 10.0 110.736 175.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.31 -46.58 25.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.053 0.941 . . . . 10.0 110.993 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.55 -52.08 65.9 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -50.36 -48.42 55.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.477 1.111 . . . . 10.0 111.503 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -61.12 -53.02 62.24 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 121.626 -0.671 . . . . 10.0 110.947 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -52.11 -61.14 2.45 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.695 0.398 . . . . 10.0 111.777 -178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.351 0.3 OUTLIER -66.58 -27.34 67.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.745 -175.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.5 mt -65.56 -51.83 56.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.244 1.383 . . . . 10.0 110.639 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.69 -47.18 77.21 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.061 -0.399 . . . . 10.0 110.199 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.12 -43.38 95.66 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.029 0.532 . . . . 10.0 110.839 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -56.95 -51.98 67.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.462 -0.773 . . . . 10.0 110.014 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.77 -53.59 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.045 0.384 . . . . 10.0 110.162 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.14 -56.75 8.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.812 1.245 . . . . 10.0 109.593 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.15 -48.71 79.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.463 -0.78 . . . . 10.0 111.296 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.93 -55.59 13.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 119.218 0.917 . . . . 10.0 109.24 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.17 -54.68 27.76 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.83 -0.605 . . . . 10.0 110.324 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -51.44 -58.6 5.81 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.761 0.71 . . . . 10.0 111.656 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -51.54 -56.23 14.59 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.774 1.23 . . . . 10.0 111.651 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.45 -60.81 2.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.471 1.109 . . . . 10.0 109.629 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -49.08 -60.46 2.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.468 1.507 . . . . 10.0 111.249 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -72.81 -39.84 66.33 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -168.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -100.15 -50.13 4.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.766 0.712 . . . . 10.0 112.199 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -82.83 -51.96 7.17 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 121.584 -0.697 . . . . 10.0 110.508 -169.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -81.94 -60.6 2.17 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.988 0.915 . . . . 10.0 110.787 -170.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.4 t 20.75 -94.08 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.262 2.625 . . . . 10.0 114.067 -169.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -32.17 69.8 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.91 0.777 . . . . 10.0 112.511 -174.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.8 tp . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.225 -1.369 . . . . 10.0 108.497 179.164 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -48.07 -46.94 34.14 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.623 0.769 . . . . 10.0 112.306 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -57.33 -47.4 81.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.988 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -44.13 95.25 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.62 -56.09 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.354 0.661 . . . . 10.0 109.584 173.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -66.28 -46.74 75.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.138 -0.351 . . . . 10.0 111.451 -173.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.38 -50.02 72.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.07 0.395 . . . . 10.0 110.017 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.4 tp -56.0 -51.89 66.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.975 0.91 . . . . 10.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.02 -54.92 41.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.471 0.653 . . . . 10.0 110.17 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.78 -43.28 80.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.891 1.276 . . . . 10.0 111.216 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.78 -52.44 40.8 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.695 0.798 . . . . 10.0 110.691 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.73 -51.7 61.0 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.9 mtt -49.42 -38.41 29.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.992 0.517 . . . . 10.0 112.306 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.7 m -66.46 -15.83 63.65 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 45.8 m -49.73 -47.85 50.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.597 1.09 . . . . 10.0 111.51 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.21 -39.72 79.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.172 0.442 . . . . 10.0 112.006 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -61.99 -50.12 73.34 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 122.014 -0.429 . . . . 10.0 109.984 176.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.55 -46.28 84.11 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.348 -0.22 . . . . 10.0 110.536 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.9 tp -55.32 -51.44 66.74 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.56 1.144 . . . . 10.0 110.297 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -57.77 -43.88 85.78 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.048 -0.407 . . . . 10.0 110.373 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.59 -51.33 59.36 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 123.557 0.599 . . . . 10.0 112.394 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.86 87.19 2.59 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.008 1.323 . . . . 10.0 108.553 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -52.97 -47.43 68.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.893 1.277 . . . . 10.0 111.725 -173.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.51 61.92 5.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.345 0.658 . . . . 10.0 109.653 -172.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.341 -1.314 . . . . 10.0 108.809 -179.788 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 N-CA-C 110.907 -0.877 . . . . 10.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.73 66.62 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.73 1.212 . . . . 10.0 110.501 -170.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.55 73.26 0.37 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.168 0.987 . . . . 10.0 111.102 -176.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.3 28.95 1.18 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.206 1.003 . . . . 10.0 110.93 -174.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.1 -66.12 1.87 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.718 -1.239 . . . . 10.0 110.666 -172.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -69.46 -19.54 63.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.603 1.161 . . . . 10.0 112.862 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -42.75 -42.86 3.71 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 125.893 1.677 . . . . 10.0 113.377 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.86 -32.07 5.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.93 1.292 . . . . 10.0 113.054 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -74.23 -28.93 61.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.038 0.535 . . . . 10.0 112.045 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.9 t -118.6 92.38 2.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 124.19 0.996 . . . . 10.0 110.775 -169.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -80.85 165.74 21.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.052 1.741 . . . . 10.0 111.526 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -48.86 -41.41 33.09 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.498 1.119 . . . . 10.0 112.144 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -58.76 4.55 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.25 1.02 . . . . 10.0 110.47 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -51.44 -49.76 61.08 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.666 0.666 . . . . 10.0 110.736 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 t -61.18 -46.83 88.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.821 0.848 . . . . 10.0 110.413 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -55.2 -48.83 73.27 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.07 -47.85 84.14 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 10.0 111.083 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.8 t -49.25 -50.42 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 119.064 0.847 . . . . 10.0 110.448 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -55.66 -49.6 72.49 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.661 -0.649 . . . . 10.0 110.478 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.73 -39.93 68.75 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.696 -0.668 . . . . 10.0 111.756 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -57.86 -53.08 62.31 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 119.509 1.05 . . . . 10.0 109.728 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.56 -51.2 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 119.093 -0.48 . . . . 10.0 109.741 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -57.46 -49.65 75.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.482 0.583 . . . . 10.0 111.908 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.23 99.26 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.478 0.711 . . . . 10.0 110.691 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.82 -49.28 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.292 0.637 . . . . 10.0 109.798 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -159.35 99.21 1.57 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.242 1.417 . . . . 10.0 110.276 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -56.03 128.95 32.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.439 2.759 . . . . 10.0 112.224 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.9 p -93.16 119.22 67.75 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-O 118.037 -0.982 . . . . 10.0 110.648 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.45 -37.08 61.03 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.412 2.741 . . . . 10.0 114.584 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -151.88 135.66 9.66 Favored Pre-proline 0 C--N 1.341 0.213 0 CA-C-O 117.788 -1.101 . . . . 10.0 109.361 -175.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -42.74 -45.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.793 2.995 . . . . 10.0 113.857 171.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.0 -34.31 55.72 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.575 -0.703 . . . . 10.0 112.054 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.35 51.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.267 0.627 . . . . 10.0 111.655 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.71 -25.89 20.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.274 0.63 . . . . 10.0 112.251 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.99 -20.37 65.02 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.52 138.89 57.96 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.89 0.768 . . . . 10.0 110.727 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -56.85 -30.08 63.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -80.24 -41.03 25.87 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.432 0.56 . . . . 10.0 110.496 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.8 mmm -59.78 -43.37 94.42 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.443 -0.786 . . . . 10.0 110.87 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -51.0 -36.9 41.76 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.844 0.458 . . . . 10.0 110.562 171.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.733 -0.604 . . . . 10.0 111.536 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.65 -47.18 84.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.43 -53.74 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.487 1.115 . . . . 10.0 109.19 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.49 -49.26 73.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.825 0.85 . . . . 10.0 110.851 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -54.62 -52.46 62.15 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 122.614 0.365 . . . . 10.0 110.414 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.92 87.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.619 0.768 . . . . 10.0 111.027 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.57 -54.4 46.4 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.458 0.572 . . . . 10.0 110.235 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -52.55 -55.39 22.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.808 0.843 . . . . 10.0 110.833 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -48.49 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.856 0.862 . . . . 10.0 110.45 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.25 -47.82 77.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.393 0.997 . . . . 10.0 110.736 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.12 -55.6 25.4 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -48.95 -51.1 32.26 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.866 0.867 . . . . 10.0 110.881 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.8 mmt -62.03 -44.79 95.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.777 -0.63 . . . . 10.0 111.204 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.37 -49.11 70.6 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.029 0.832 . . . . 10.0 110.023 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.97 -35.24 74.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -73.12 -38.7 66.22 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.627 -0.671 . . . . 10.0 112.18 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 108.93 3.44 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.549 1.139 . . . . 10.0 113.371 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -58.24 -36.9 73.89 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.187 0.595 . . . . 10.0 112.182 174.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.0 t -131.79 155.71 47.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.612 1.565 . . . . 10.0 110.156 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -50.47 -39.92 49.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.263 1.425 . . . . 10.0 109.707 169.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.35 -48.54 76.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.995 0.426 . . . . 10.0 110.045 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.51 -51.0 69.15 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -45.89 -53.36 9.95 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.152 0.981 . . . . 10.0 111.662 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.5 -54.3 48.19 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.772 -0.58 . . . . 10.0 111.198 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.19 -60.38 3.36 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.313 0.3 OUTLIER -68.08 -25.67 65.45 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.543 -0.741 . . . . 10.0 112.646 -175.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.94 -54.47 34.04 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 120.202 1.365 . . . . 10.0 110.017 170.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.76 -47.13 74.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.069 -0.395 . . . . 10.0 110.346 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.092 -0.48 . . . . 10.0 111.11 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.93 -48.58 73.6 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 10.0 110.421 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.5 mt -54.64 -54.55 21.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.43 0.633 . . . . 10.0 109.406 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.22 -55.32 15.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.252 1.421 . . . . 10.0 108.795 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -46.51 -61.59 1.75 Allowed 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 124.658 1.183 . . . . 10.0 110.964 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.4 mt -49.33 -63.44 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 119.532 1.06 . . . . 10.0 109.618 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -66.01 -25.09 66.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 119.641 -0.823 . . . . 10.0 112.458 -171.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -65.9 0.95 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.062 0.846 . . . . 10.0 110.871 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -44.93 -44.5 9.8 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 125.891 1.676 . . . . 10.0 111.713 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.46 -17.62 62.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.3 0.64 . . . . 10.0 112.616 -177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -111.52 -65.21 1.19 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.121 1.368 . . . . 10.0 110.587 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -128.79 109.88 11.68 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.975 2.11 . . . . 10.0 109.384 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -77.34 62.26 2.32 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.91 1.284 . . . . 10.0 110.083 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -134.33 -106.0 0.23 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.874 0.87 . . . . 10.0 110.755 -170.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -80.29 62.76 4.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.179 1.391 . . . . 10.0 111.045 -171.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.6 p -90.58 -51.25 5.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 125.828 1.651 . . . . 10.0 111.232 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -59.82 -55.27 36.27 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.138 0.575 . . . . 10.0 110.533 174.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.25 1.087 0 C-N-CA 126.213 1.805 . . . . 10.0 108.038 177.871 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 119.294 -0.384 . . . . 10.0 110.798 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -50.11 -51.01 46.47 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.564 0.62 . . . . 10.0 111.67 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -58.02 -41.91 84.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.456 0.703 . . . . 10.0 111.215 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -52.14 62.82 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 14.4 mm -52.78 -57.4 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.798 0.839 . . . . 10.0 109.775 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -65.69 -47.54 75.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.015 -0.517 . . . . 10.0 111.311 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.08 -45.72 86.67 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.014 0.824 . . . . 10.0 110.373 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.91 -50.21 73.23 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.261 0.482 . . . . 10.0 110.793 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.06 -51.09 69.1 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.506 0.67 . . . . 10.0 110.334 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.92 -30.96 69.53 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.92 1.288 . . . . 10.0 112.627 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 60.9 tp -46.48 -45.55 18.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.37 1.068 . . . . 10.0 110.909 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.39 -52.83 14.29 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.745 0.418 . . . . 10.0 109.974 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.8 mmt -47.34 -41.49 19.51 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.586 0.754 . . . . 10.0 111.43 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.9 m -57.9 -24.95 60.05 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 41.1 m -42.09 -44.14 3.51 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.487 1.04 . . . . 10.0 113.186 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -55.76 -34.52 65.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 -175.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -36.0 75.18 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.616 0.644 . . . . 10.0 110.973 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.57 -50.72 64.1 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.8 tp -50.1 -51.42 43.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.734 1.214 . . . . 10.0 109.748 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -59.44 -51.18 70.98 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.969 1.308 . . . . 10.0 110.189 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.91 -32.32 33.78 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.758 1.171 . . . . 10.0 112.577 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -115.88 32.5 6.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.936 0.868 . . . . 10.0 111.115 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 9.86 56.05 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.584 2.754 . . . . 10.0 115.679 -169.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.11 61.73 7.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.154 0.582 . . . . 10.0 109.966 -172.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.159 -1.4 . . . . 10.0 110.276 -178.148 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 N-CA-C 111.671 -0.572 . . . . 10.0 111.671 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.45 136.25 27.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 122.593 0.357 . . . . 10.0 110.071 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -64.17 -60.96 2.58 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.3 1.048 . . . . 10.0 110.609 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -113.46 158.59 20.5 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.957 2.103 . . . . 10.0 106.58 170.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.34 -53.91 11.13 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.771 1.169 . . . . 10.0 111.662 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -62.27 -15.58 48.29 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.659 1.184 . . . . 10.0 113.711 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -59.35 -25.23 64.05 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.203 -0.936 . . . . 10.0 111.115 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -47.22 -36.19 8.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.601 1.16 . . . . 10.0 111.119 169.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -99.28 -51.02 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.738 1.215 . . . . 10.0 110.559 -177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -79.4 90.89 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.228 0.537 . . . . 10.0 111.104 -175.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -71.14 160.44 32.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.522 1.153 . . . . 10.0 112.971 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -52.14 -39.84 60.54 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.705 -1.134 . . . . 10.0 112.247 174.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -56.08 -48.22 76.53 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.576 0.75 . . . . 10.0 111.517 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.95 -49.26 78.16 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.626 -0.671 . . . . 10.0 109.608 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -51.74 -46.8 64.15 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -58.42 -48.77 79.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.605 1.162 . . . . 10.0 111.374 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -63.25 -39.03 93.44 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.675 -0.64 . . . . 10.0 110.4 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.12 -46.34 89.48 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.047 -1.033 . . . . 10.0 110.865 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -50.99 -51.63 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 121.312 -0.868 . . . . 10.0 110.212 169.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.83 -47.32 64.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.693 -0.67 . . . . 10.0 111.353 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -57.76 -46.66 84.22 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.447 0.699 . . . . 10.0 111.341 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -51.24 -52.53 43.86 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -55.06 -53.03 38.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.885 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -54.1 -50.2 67.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.695 1.134 . . . . 10.0 111.856 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -36.67 84.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.978 0.511 . . . . 10.0 111.499 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.2 mt -74.35 -53.09 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 121.322 0.582 . . . . 10.0 109.693 173.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -137.36 103.18 8.73 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 128.038 2.535 . . . . 10.0 109.878 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.4 107.12 1.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.514 2.143 . . . . 10.0 109.793 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 m -74.49 133.46 77.22 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 -173.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -65.88 -40.64 16.07 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.421 2.081 . . . . 10.0 112.124 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -151.09 140.55 13.84 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 117.417 -1.278 . . . . 10.0 108.059 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -41.59 -45.5 6.3 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.59 2.86 . . . . 10.0 113.979 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.54 62.78 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.608 -0.683 . . . . 10.0 112.004 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -21.74 60.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.527 0.731 . . . . 10.0 112.063 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.44 -26.87 44.53 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.82 0.736 . . . . 10.0 111.76 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -15.68 63.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.32 133.09 54.62 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.363 -0.836 . . . . 10.0 110.09 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -54.15 -24.82 19.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.153 0.981 . . . . 10.0 113.532 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -71.2 -48.91 48.64 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.557 0.617 . . . . 10.0 110.235 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.99 -39.08 87.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.656 0.782 . . . . 10.0 110.822 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -40.26 -39.95 1.04 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.581 1.552 . . . . 10.0 112.348 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -64.11 -50.82 66.78 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.634 0.774 . . . . 10.0 111.326 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.56 -42.63 99.67 Favored 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.12 -52.75 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.069 0.547 . . . . 10.0 109.891 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.69 71.0 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.241 0.616 . . . . 10.0 110.994 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.56 -52.32 62.47 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.384 -0.197 . . . . 10.0 110.546 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.37 80.7 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.578 0.751 . . . . 10.0 111.233 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.14 -53.64 54.7 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.002 0.521 . . . . 10.0 110.722 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -53.79 -55.31 27.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.414 0.686 . . . . 10.0 110.383 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -44.47 98.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.255 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.73 -45.91 77.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.388 -0.82 . . . . 10.0 110.826 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -54.37 28.35 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.089 -0.805 . . . . 10.0 111.089 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.09 -49.79 59.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.027 0.531 . . . . 10.0 111.121 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -61.16 -42.37 98.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.281 -0.39 . . . . 10.0 111.349 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.73 -49.68 75.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.471 0.578 . . . . 10.0 110.29 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.99 -41.79 99.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 111.589 0.218 . . . . 10.0 111.589 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 m -63.08 -43.19 99.21 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.655 0.74 . . . . 10.0 111.845 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 107.14 2.38 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.383 1.087 . . . . 10.0 112.73 -169.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.812 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -149.6 164.19 35.82 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.879 0.871 . . . . 10.0 110.733 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -55.37 -48.81 73.72 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.902 1.681 . . . . 10.0 110.816 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -49.46 -53.56 22.4 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.038 0.535 . . . . 10.0 110.843 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -55.83 -51.5 67.29 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 123.059 0.543 . . . . 10.0 110.157 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -49.46 -52.16 30.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.536 0.607 . . . . 10.0 112.343 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -58.02 -51.81 68.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.995 -0.44 . . . . 10.0 110.616 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -54.47 -60.87 2.76 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -66.07 -30.64 71.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.279 0.945 . . . . 10.0 112.971 -175.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.92 -52.69 47.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.836 1.198 . . . . 10.0 110.923 171.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.06 71.79 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.78 -45.69 91.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.664 0.786 . . . . 10.0 110.72 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -55.26 -54.29 45.28 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.817 0.735 . . . . 10.0 110.248 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.9 mt -50.4 -53.94 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.402 0.62 . . . . 10.0 110.453 174.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.28 -51.49 64.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.694 1.198 . . . . 10.0 110.61 -175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -56.02 -51.16 68.76 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.494 0.718 . . . . 10.0 111.394 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.75 -52.33 17.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -62.39 -46.01 90.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.52 1.054 . . . . 10.0 112.138 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -56.37 -41.32 76.01 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.755 -1.215 . . . . 10.0 111.563 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -78.48 -63.48 1.39 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.342 0.657 . . . . 10.0 111.571 177.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 tp -80.77 -11.68 59.57 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.623 2.369 . . . . 10.0 114.74 -169.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 11.87 84.78 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.366 2.666 . . . . 10.0 115.362 -169.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -84.46 15.53 3.64 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.107 1.363 . . . . 10.0 111.446 172.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -49.29 -32.65 11.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.844 1.657 . . . . 10.0 112.83 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mtm105 -49.81 -41.2 44.2 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.004 . . . . 10.0 111.706 173.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -105.28 -60.14 1.66 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.516 1.526 . . . . 10.0 110.643 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.7 p -55.97 139.83 45.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.811 1.644 . . . . 10.0 113.461 -169.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -59.08 136.55 57.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.019 0.928 . . . . 10.0 109.967 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.893 -1.527 . . . . 10.0 113.099 -174.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 53.7 mttp . . . . . 0 N--CA 1.475 0.782 0 CA-C-O 118.372 -0.823 . . . . 10.0 111.447 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -12.84 -71.3 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.399 2.679 . . . . 10.0 116.193 -171.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -52.39 -54.23 34.68 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.522 0.729 . . . . 10.0 110.531 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -47.85 83.71 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.89 -44.23 48.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 122.987 0.515 . . . . 10.0 110.871 -175.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -72.23 -48.51 42.3 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.852 -0.53 . . . . 10.0 112.056 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.5 -45.45 81.02 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.496 0.589 . . . . 10.0 111.5 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 52.1 tp -47.44 -58.0 4.69 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.534 2.334 . . . . 10.0 110.5 172.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.91 -54.71 43.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.024 0.53 . . . . 10.0 110.321 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.38 -44.42 76.08 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.599 1.16 . . . . 10.0 111.402 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.31 -52.45 65.3 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.922 0.889 . . . . 10.0 110.027 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.17 -50.32 74.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 22.0 mmt -50.34 -42.97 53.86 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.264 0.484 . . . . 10.0 111.88 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 69.3 m -65.16 -36.35 83.96 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -174.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -19.74 -63.23 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -169.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.68 -38.02 31.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.733 1.151 . . . . 10.0 113.627 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -62.52 -36.85 83.88 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.843 -0.535 . . . . 10.0 110.346 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -74.92 -42.13 58.36 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.07 0.948 . . . . 10.0 109.673 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.4 tp -52.76 -52.93 54.49 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.187 1.395 . . . . 10.0 110.336 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -69.75 -47.06 64.39 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.69 1.196 . . . . 10.0 109.048 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.81 -47.01 13.9 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.054 0.835 . . . . 10.0 112.223 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.67 -60.41 3.35 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 171.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -79.79 64.35 4.62 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.652 -0.655 . . . . 10.0 110.682 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.73 57.12 0.98 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.333 1.053 . . . . 10.0 112.849 -171.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--O 1.252 1.208 0 CA-C-O 117.314 -1.327 . . . . 10.0 110.307 177.699 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 111.382 -0.687 . . . . 10.0 111.382 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.4 57.9 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 125.292 1.437 . . . . 10.0 112.069 -177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -86.38 -48.07 8.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.8 1.24 . . . . 10.0 111.323 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -91.75 136.91 32.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.444 -1.687 . . . . 10.0 106.444 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.3 -46.72 28.27 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 118.735 0.698 . . . . 10.0 111.925 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -60.93 -12.56 11.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -57.35 -30.01 64.48 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.069 0.849 . . . . 10.0 111.401 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.93 -35.84 6.96 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.356 1.062 . . . . 10.0 111.402 170.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -100.37 -39.48 7.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.876 1.27 . . . . 10.0 111.081 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -91.31 89.9 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.554 0.692 . . . . 10.0 110.011 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -71.95 160.29 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.885 0.85 . . . . 10.0 111.395 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -51.66 -39.08 57.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.738 0.815 . . . . 10.0 111.341 174.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.04 -56.77 9.46 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.28 1.032 . . . . 10.0 110.432 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.25 -45.54 94.11 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -53.88 -49.95 67.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.548 0.613 . . . . 10.0 111.004 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 t -60.99 -45.4 94.98 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.989 0.915 . . . . 10.0 110.247 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -57.52 -50.26 73.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.68 -44.98 82.0 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.098 0.559 . . . . 10.0 111.078 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.8 t -50.49 -51.27 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 119.436 1.016 . . . . 10.0 110.761 170.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.21 -50.31 69.74 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.464 -0.772 . . . . 10.0 110.483 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -51.59 -44.19 62.74 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 118.658 -0.687 . . . . 10.0 111.133 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.3 mt -53.14 -56.67 14.54 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.993 0.815 . . . . 10.0 109.155 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -53.63 -59.83 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-O 118.528 -0.749 . . . . 10.0 110.459 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.59 -37.42 86.15 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.535 1.061 . . . . 10.0 112.507 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.14 86.86 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.304 -0.873 . . . . 10.0 110.589 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.5 mt -68.66 -47.1 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.95 0.5 . . . . 10.0 110.304 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -146.72 91.75 5.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 127.175 2.19 . . . . 10.0 108.788 -169.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.68 119.98 4.22 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.7 2.933 . . . . 10.0 112.95 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.2 p -72.68 121.12 84.12 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-O 117.712 -1.137 . . . . 10.0 110.047 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.12 -45.3 42.0 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.719 2.279 . . . . 10.0 112.783 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -165.63 148.47 6.71 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.466 -1.254 . . . . 10.0 107.741 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.52 -43.79 17.57 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.862 2.375 . . . . 10.0 113.179 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.11 37.02 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.668 -0.645 . . . . 10.0 112.684 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.53 -25.02 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.795 -0.566 . . . . 10.0 111.762 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.1 mt -54.46 -31.53 55.8 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -170.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.28 -20.38 65.63 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.86 131.92 36.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 118.688 0.676 . . . . 10.0 109.606 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -53.41 -47.67 69.37 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.684 0.674 . . . . 10.0 112.677 -172.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.1 -49.64 76.86 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.628 -0.67 . . . . 10.0 109.611 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.7 ttm -58.69 -46.43 87.27 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.838 -0.165 . . . . 10.0 110.626 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.83 -46.99 68.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.551 1.54 . . . . 10.0 110.472 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -61.12 -42.83 99.24 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.897 -0.502 . . . . 10.0 110.516 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -64.81 -39.32 93.4 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.713 -0.617 . . . . 10.0 110.977 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.49 -50.83 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 124.764 1.226 . . . . 10.0 109.053 172.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.62 76.64 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.02 -0.425 . . . . 10.0 110.716 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.66 -53.38 52.77 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 122.763 0.425 . . . . 10.0 110.135 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.38 77.84 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.339 0.656 . . . . 10.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -56.98 -52.82 63.72 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.193 0.451 . . . . 10.0 110.471 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -54.48 -53.68 51.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.391 0.676 . . . . 10.0 110.476 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.53 -51.3 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.977 0.911 . . . . 10.0 110.16 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -53.58 -46.99 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.294 0.952 . . . . 10.0 110.476 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.42 -58.59 10.64 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.624 -0.99 . . . . 10.0 110.624 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.99 -51.52 41.02 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.387 0.675 . . . . 10.0 111.102 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 mmt -57.59 -43.37 84.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.962 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.71 -52.72 64.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 117.907 0.321 . . . . 10.0 110.406 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.17 -40.99 95.98 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.109 -0.369 . . . . 10.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -63.95 -49.02 74.2 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.136 0.574 . . . . 10.0 111.497 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 111.83 3.78 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 122.042 0.925 . . . . 10.0 112.969 -169.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -55.61 -32.8 63.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.523 0.729 . . . . 10.0 112.512 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -155.05 154.4 32.41 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.502 -0.749 . . . . 10.0 110.561 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -48.63 -45.35 38.27 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.438 1.495 . . . . 10.0 112.535 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.29 -49.32 64.39 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.594 0.757 . . . . 10.0 111.318 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.47 -48.24 78.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -50.95 -52.49 41.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.249 0.62 . . . . 10.0 111.918 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.01 -51.17 70.31 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.8 -0.562 . . . . 10.0 110.324 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -53.74 -63.13 1.25 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.507 0.558 . . . . 10.0 112.507 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -65.08 -29.19 70.04 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.83 0.741 . . . . 10.0 112.588 -174.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.09 -54.69 30.11 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.567 1.076 . . . . 10.0 110.488 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.9 -46.39 71.41 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.05 -47.6 80.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.138 0.575 . . . . 10.0 110.842 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -58.84 -47.72 83.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.559 -0.713 . . . . 10.0 110.529 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 87.3 mt -53.13 -53.96 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 173.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -52.66 29.26 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.209 1.403 . . . . 10.0 109.42 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -56.31 -58.65 7.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 117.951 -1.024 . . . . 10.0 111.853 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.71 -56.93 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 119.636 1.107 . . . . 10.0 109.188 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.09 -56.48 14.15 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 118.449 -0.786 . . . . 10.0 111.474 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -56.43 -56.88 15.69 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.184 1.356 . . . . 10.0 112.354 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -54.1 -49.79 68.31 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.204 1.402 . . . . 10.0 109.548 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 tp -74.65 -40.26 61.56 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.732 1.213 . . . . 10.0 111.33 -172.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -46.96 -49.26 21.0 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 126.72 2.008 . . . . 10.0 110.086 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.67 -40.45 83.55 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.209 -0.307 . . . . 10.0 111.695 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.22 -47.62 73.24 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.702 -0.624 . . . . 10.0 110.342 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -52.88 -48.64 67.0 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.366 1.066 . . . . 10.0 110.074 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -58.52 -50.03 75.24 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.03 0.532 . . . . 10.0 110.855 173.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -75.56 45.57 0.32 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.67 0.788 . . . . 10.0 112.618 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -78.16 61.56 2.69 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.824 0.85 . . . . 10.0 111.131 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.035 -1.46 . . . . 10.0 109.952 -170.431 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.59 -0.719 . . . . 10.0 110.545 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 0.17 -79.01 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 129.041 2.937 . . . . 10.0 115.616 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -56.58 -47.32 79.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.814 0.446 . . . . 10.0 110.884 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -43.46 98.79 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -58.81 -56.52 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 121.349 0.595 . . . . 10.0 109.573 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -67.27 -44.79 78.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.223 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -56.15 -47.68 77.73 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.73 -49.58 76.07 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.899 0.318 . . . . 10.0 111.2 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.1 -57.95 10.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.522 0.677 . . . . 10.0 110.208 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.4 tp -53.37 -44.98 69.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.047 1.339 . . . . 10.0 110.952 -173.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -47.85 -54.99 10.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.532 1.133 . . . . 10.0 110.14 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.78 -52.18 40.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.3 mmt -45.39 -40.45 8.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.016 0.526 . . . . 10.0 112.356 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -65.14 -24.66 67.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.097 1.147 . . . . 10.0 114.097 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.8 m -36.24 -59.33 0.63 Allowed 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 115.588 1.699 . . . . 10.0 115.588 -168.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -46.96 -41.16 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.69 1.586 . . . . 10.0 113.63 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -66.38 -48.33 70.48 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.574 0.75 . . . . 10.0 109.292 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.42 -48.98 75.85 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.664 0.786 . . . . 10.0 109.773 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.15 -64.14 0.91 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 126.29 1.836 . . . . 10.0 109.021 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -58.17 -45.24 87.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.54 -0.464 . . . . 10.0 110.217 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.15 -25.97 41.21 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.287 0.946 . . . . 10.0 113.424 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -117.92 19.31 13.75 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.594 1.197 . . . . 10.0 111.403 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -77.2 77.41 3.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 121.458 -0.776 . . . . 10.0 110.071 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 58.61 0.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.655 0.782 . . . . 10.0 110.601 172.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 67.9 tp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.374 -1.298 . . . . 10.0 108.871 -176.712 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.245 0 N-CA-C 111.343 -0.703 . . . . 10.0 111.343 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.7 m -44.19 105.13 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.662 1.585 . . . . 10.0 112.639 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -158.78 -36.64 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.091 1.145 . . . . 10.0 114.091 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -68.28 144.97 54.65 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.22 10.64 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.34 0.495 . . . . 10.0 113.013 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -71.69 -28.26 63.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -52.43 -45.58 66.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.668 0.667 . . . . 10.0 110.288 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -35.66 -39.66 0.15 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 127.402 2.281 . . . . 10.0 113.29 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -92.24 -14.05 29.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.107 0.963 . . . . 10.0 112.443 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.71 107.78 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.866 0.866 . . . . 10.0 109.704 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -74.47 160.16 31.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.766 0.793 . . . . 10.0 112.604 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -54.31 -44.99 72.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.738 1.215 . . . . 10.0 110.511 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -60.65 -46.07 91.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.723 -0.611 . . . . 10.0 111.604 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.72 -48.28 81.72 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.198 0.908 . . . . 10.0 110.037 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -51.68 -48.7 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.388 0.275 . . . . 10.0 110.369 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -58.32 -46.95 85.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.393 0.677 . . . . 10.0 111.283 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -65.25 -43.71 90.49 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.766 -0.584 . . . . 10.0 110.546 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.85 -47.3 85.34 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.797 -0.565 . . . . 10.0 110.67 174.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 t -52.66 -44.8 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.8 0.84 . . . . 10.0 110.283 171.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.83 -48.85 78.56 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.151 -0.968 . . . . 10.0 110.468 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -51.39 -42.83 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.058 0.845 . . . . 10.0 111.218 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.11 -51.09 71.16 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.62 0.646 . . . . 10.0 111.233 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.9 t -53.29 -47.38 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.852 -0.594 . . . . 10.0 110.134 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.15 -47.93 77.27 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.066 0.848 . . . . 10.0 111.141 175.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.36 85.23 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.921 -0.487 . . . . 10.0 111.714 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.1 mt -70.31 -40.81 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.877 0.471 . . . . 10.0 110.352 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -162.19 95.15 1.24 Allowed Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 125.03 1.332 . . . . 10.0 109.37 -169.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.91 96.57 0.04 OUTLIER 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.343 3.362 . . . . 10.0 112.819 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.2 m -87.6 135.88 33.63 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 124.125 0.97 . . . . 10.0 108.503 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.47 -49.22 6.13 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.023 2.482 . . . . 10.0 113.93 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.31 141.65 21.75 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-O 117.649 -1.167 . . . . 10.0 108.72 -170.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -40.9 -46.79 4.93 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.529 2.82 . . . . 10.0 113.9 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.79 -38.43 61.13 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.665 -0.647 . . . . 10.0 111.823 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.81 -17.18 62.84 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.034 0.534 . . . . 10.0 111.959 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.87 -27.17 67.93 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.953 0.797 . . . . 10.0 111.187 171.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.4 49.37 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.516 0.726 . . . . 10.0 111.272 -173.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.4 147.17 51.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.103 1.361 . . . . 10.0 110.784 -171.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -47.7 63.7 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.564 1.546 . . . . 10.0 111.964 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -65.52 -57.84 7.25 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 108.499 -0.926 . . . . 10.0 108.499 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.4 mmm -51.42 -39.03 56.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.685 0.794 . . . . 10.0 112.812 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -39.46 -42.86 1.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.688 1.195 . . . . 10.0 111.909 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -66.04 -47.22 75.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 123.341 0.656 . . . . 10.0 110.677 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.46 -45.53 90.4 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -52.95 -53.06 23.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 123.539 0.735 . . . . 10.0 109.363 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -52.03 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.432 0.693 . . . . 10.0 110.966 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.7 -49.93 66.98 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.921 0.328 . . . . 10.0 110.621 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.02 91.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.593 0.357 . . . . 10.0 110.954 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.69 -50.24 73.86 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.143 -0.348 . . . . 10.0 110.502 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.02 -55.74 27.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.458 0.703 . . . . 10.0 110.746 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -47.18 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.81 -34.89 75.22 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.241 -0.912 . . . . 10.0 111.498 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.17 -55.39 26.55 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.078 -1.209 . . . . 10.0 110.078 170.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -51.21 -47.59 62.26 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.097 0.449 . . . . 10.0 110.814 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 mmt -58.61 -43.82 89.73 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 111.769 0.285 . . . . 10.0 111.769 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -62.75 -39.21 93.41 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.458 1.103 . . . . 10.0 110.455 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.6 -46.09 70.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.372 0.669 . . . . 10.0 111.25 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -69.51 -53.26 19.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.821 0.849 . . . . 10.0 111.783 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 123.94 18.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.67 0.788 . . . . 10.0 110.721 -175.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -106.08 23.57 13.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.039 0.536 . . . . 10.0 110.939 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.1 p -161.62 157.82 25.21 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 169.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -64.31 -47.41 79.54 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.255 0.55 . . . . 10.0 109.956 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.3 -45.75 65.68 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.342 0.657 . . . . 10.0 111.192 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.5 -48.72 80.55 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.143 0.883 . . . . 10.0 110.075 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -52.86 -48.66 66.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.643 0.377 . . . . 10.0 111.349 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -58.33 -51.64 68.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.965 -0.459 . . . . 10.0 111.011 172.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -53.83 -60.63 3.07 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.668 0.387 . . . . 10.0 111.791 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -67.17 -31.28 71.6 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.774 0.715 . . . . 10.0 112.875 -175.622 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -65.75 -50.42 64.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.96 1.255 . . . . 10.0 110.677 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.56 75.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.787 0.435 . . . . 10.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.34 -43.4 96.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.104 0.561 . . . . 10.0 110.677 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.66 -47.74 83.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.769 -0.582 . . . . 10.0 110.167 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 23.5 mt -55.21 -51.59 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 121.741 -0.599 . . . . 10.0 110.73 173.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -51.99 53.32 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.652 1.181 . . . . 10.0 108.819 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -55.32 -59.47 4.75 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.308 1.043 . . . . 10.0 111.328 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.8 mt -43.97 -61.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 123.884 0.874 . . . . 10.0 109.692 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.03 -53.57 54.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.414 -0.327 . . . . 10.0 111.22 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -55.22 -54.6 41.32 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 118.855 0.752 . . . . 10.0 112.536 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -55.56 -53.19 59.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.081 0.952 . . . . 10.0 109.669 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.5 tp -77.36 -16.63 58.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.852 1.661 . . . . 10.0 113.143 -169.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -38.56 108.73 0.09 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.523 1.929 . . . . 10.0 113.721 -172.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -64.58 -33.99 77.22 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.758 1.223 . . . . 10.0 111.249 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -52.12 -46.78 65.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.235 0.471 . . . . 10.0 112.268 -173.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -67.04 -30.31 70.35 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.782 0.719 . . . . 10.0 111.558 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -78.93 -30.86 44.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.049 0.94 . . . . 10.0 110.891 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.0 m -73.18 61.58 0.63 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.7 1.2 . . . . 10.0 112.669 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -88.81 156.05 19.19 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.25 1.02 . . . . 10.0 110.593 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--O 1.251 1.133 0 CA-C-O 116.993 -1.479 . . . . 10.0 110.482 179.106 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -47.67 1.58 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.237 1.015 . . . . 10.0 112.944 173.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -54.02 -51.44 64.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.807 0.843 . . . . 10.0 111.195 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -29.45 61.64 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 119.201 -0.428 . . . . 10.0 110.77 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.15 -57.25 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.17 -45.83 75.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.897 -170.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.55 -49.97 69.05 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.216 0.462 . . . . 10.0 110.136 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 58.5 tp -57.49 -53.78 54.31 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.453 0.301 . . . . 10.0 111.104 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.98 -53.17 61.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.405 0.682 . . . . 10.0 110.103 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.6 -43.77 89.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.941 1.297 . . . . 10.0 111.128 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.42 -50.77 59.06 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.019 0.528 . . . . 10.0 110.538 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.12 -53.39 54.24 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mtt -50.85 -36.87 39.87 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 122.791 0.436 . . . . 10.0 111.93 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.7 m -72.47 -9.82 59.01 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.385 1.254 . . . . 10.0 114.385 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -48.54 -51.83 25.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.57 1.532 . . . . 10.0 113.868 -169.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.04 -36.24 67.8 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 120.756 -1.215 . . . . 10.0 112.48 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -69.97 -40.74 75.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.75 -46.69 74.36 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.631 0.773 . . . . 10.0 110.11 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 mp -57.9 -55.87 29.37 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.157 0.583 . . . . 10.0 110.597 173.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -57.38 -29.69 64.26 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.85 69.3 0.3 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.129 -0.788 . . . . 10.0 111.129 170.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 29.82 52.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 128.125 2.57 . . . . 10.0 114.564 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -133.33 60.38 1.71 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.44 1.096 . . . . 10.0 108.319 171.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.47 70.4 1.26 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.041 0.937 . . . . 10.0 110.679 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 tp . . . . . 0 C--O 1.251 1.156 0 CA-C-O 117.114 -1.422 . . . . 10.0 111.054 177.205 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.201 0 N-CA-C 111.558 -0.617 . . . . 10.0 111.558 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -74.52 54.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.766 1.627 . . . . 10.0 112.472 -173.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -82.67 135.41 35.03 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.298 -0.876 . . . . 10.0 110.69 -176.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -151.58 17.64 0.71 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.723 0.809 . . . . 10.0 111.162 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.56 -66.0 2.04 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.742 -1.343 . . . . 10.0 109.742 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -70.61 -9.74 57.65 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.235 1.014 . . . . 10.0 113.469 -177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -57.71 -37.05 72.84 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.7 1.2 . . . . 10.0 109.895 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -29.93 -46.28 0.06 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 128.785 2.834 . . . . 10.0 114.909 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -112.94 18.79 17.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.626 0.77 . . . . 10.0 112.862 -173.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.11 95.75 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.937 0.895 . . . . 10.0 109.325 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -86.69 164.24 16.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.538 1.135 . . . . 10.0 111.63 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -49.61 -45.22 47.87 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 123.798 0.839 . . . . 10.0 111.413 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.76 -46.8 71.04 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.222 0.464 . . . . 10.0 111.122 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.89 -48.77 77.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -53.39 -50.28 65.47 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 10.0 110.316 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.6 m -54.1 -49.79 68.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.512 1.525 . . . . 10.0 110.553 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -60.56 -52.38 65.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -52.99 -48.99 67.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.368 0.667 . . . . 10.0 110.423 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.06 -50.38 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.633 -0.667 . . . . 10.0 110.905 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . 0.303 0.5 OUTLIER -64.68 -26.69 68.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 120.179 1.354 . . . . 10.0 113.423 176.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -62.52 -45.47 92.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 119.425 1.012 . . . . 10.0 109.179 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.57 -54.24 48.22 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.933 -0.479 . . . . 10.0 110.6 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.99 -54.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.276 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.75 -35.24 79.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.128 0.876 . . . . 10.0 111.986 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.25 86.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.321 0.509 . . . . 10.0 111.405 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.75 -60.38 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.524 0.678 . . . . 10.0 109.277 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.12 98.83 20.52 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 127.435 2.294 . . . . 10.0 108.283 -169.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.72 85.01 0.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.939 2.426 . . . . 10.0 110.034 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 m -67.88 124.63 89.93 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 124.988 1.315 . . . . 10.0 111.422 -169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.67 -51.09 11.92 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 125.022 3.815 . . . . 10.0 116.207 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.89 142.94 17.1 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 117.801 -1.095 . . . . 10.0 110.685 -169.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.06 -43.91 9.59 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.72 2.946 . . . . 10.0 114.013 170.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -34.49 58.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.614 -0.679 . . . . 10.0 111.946 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -26.3 61.13 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.105 0.562 . . . . 10.0 111.48 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.62 -17.74 35.87 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.05 -22.89 67.04 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.68 0.673 . . . . 10.0 112.241 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.64 135.99 57.17 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.047 0.84 . . . . 10.0 110.927 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -50.96 69.55 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.645 0.778 . . . . 10.0 112.659 -177.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.7 -45.32 94.66 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.819 -0.551 . . . . 10.0 109.545 -178.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 40.6 tpp -59.2 -44.47 92.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.278 -0.264 . . . . 10.0 110.671 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.62 -39.97 78.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.147 0.885 . . . . 10.0 110.491 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -41.56 96.86 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.725 -0.609 . . . . 10.0 110.855 173.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.01 -43.09 88.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.829 0.452 . . . . 10.0 110.319 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -55.03 -50.22 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 124.11 0.964 . . . . 10.0 109.075 171.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.24 78.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.085 0.402 . . . . 10.0 111.051 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.19 -49.64 68.9 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.014 -0.429 . . . . 10.0 110.819 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.44 96.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.057 -0.402 . . . . 10.0 110.933 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -55.8 -50.91 69.22 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.005 -0.435 . . . . 10.0 110.04 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -54.05 -55.18 29.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.183 0.593 . . . . 10.0 110.438 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -44.01 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 119.115 -0.469 . . . . 10.0 110.995 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.3 -47.04 69.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.32 0.964 . . . . 10.0 110.701 171.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.74 -52.64 40.97 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.43 -0.668 . . . . 10.0 111.43 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -51.87 -49.62 62.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.308 0.643 . . . . 10.0 110.456 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 mmt -59.93 -46.76 88.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.27 -0.395 . . . . 10.0 111.297 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -53.33 -51.56 62.01 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.055 0.542 . . . . 10.0 110.229 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -61.56 -43.63 98.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.216 0.606 . . . . 10.0 111.072 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 m -64.97 -41.65 95.26 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.283 0.563 . . . . 10.0 112.152 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 99.63 6.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.165 0.986 . . . . 10.0 112.891 -169.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 47.73 0.84 Allowed 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.449 -1.407 . . . . 10.0 110.91 170.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t 173.34 145.85 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.665 1.986 . . . . 10.0 108.8 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.79 -39.85 93.14 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.013 0.525 . . . . 10.0 110.541 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.0 -44.19 97.78 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.61 -50.32 73.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -50.22 -50.08 50.79 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.914 0.886 . . . . 10.0 111.049 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.44 -54.18 48.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.043 -0.411 . . . . 10.0 110.851 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -54.52 -60.39 3.42 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -176.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.345 0.4 OUTLIER -66.45 -30.77 71.2 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.389 -0.819 . . . . 10.0 112.769 -176.036 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.34 -46.89 75.26 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.796 1.18 . . . . 10.0 110.765 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.19 81.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.856 -0.528 . . . . 10.0 109.971 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -57.88 -49.59 76.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.444 0.697 . . . . 10.0 110.448 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -53.22 -50.79 63.99 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 23.5 mt -55.19 -46.91 77.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.003 0.521 . . . . 10.0 111.669 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.59 -57.7 10.39 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.767 0.827 . . . . 10.0 109.058 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -53.51 -52.91 58.08 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.973 -0.537 . . . . 10.0 111.207 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.0 mt -47.79 -63.37 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -53.1 -44.44 67.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.992 -0.528 . . . . 10.0 111.054 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -56.97 12.75 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.112 0.869 . . . . 10.0 111.64 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -52.88 -48.59 67.05 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.686 0.794 . . . . 10.0 111.22 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.94 -50.95 62.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.328 1.051 . . . . 10.0 110.055 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -49.91 -44.17 50.08 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.63 1.172 . . . . 10.0 111.237 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -50.52 -43.22 55.83 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.929 0.344 . . . . 10.0 111.929 172.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -77.18 -38.83 50.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.054 0.942 . . . . 10.0 111.173 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -53.94 -44.1 70.36 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 174.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -69.73 -63.04 1.15 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.243 0.617 . . . . 10.0 111.72 173.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.7 t -88.58 103.67 16.12 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.695 1.198 . . . . 10.0 110.375 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -37.46 79.73 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.761 0.315 . . . . 10.0 110.44 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.387 -1.292 . . . . 10.0 109.288 174.387 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -10.09 -71.78 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 128.679 2.792 . . . . 10.0 115.301 174.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -54.35 -50.85 66.49 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.833 0.853 . . . . 10.0 112.072 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -42.62 97.77 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.749 0.82 . . . . 10.0 109.507 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.77 -54.29 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.58 -50.14 68.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.124 -0.36 . . . . 10.0 110.425 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -54.05 -47.04 72.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.492 0.317 . . . . 10.0 110.422 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.52 -51.16 71.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.448 0.567 . . . . 10.0 111.031 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.06 -50.2 67.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.244 0.545 . . . . 10.0 109.891 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.03 -40.13 92.44 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.722 1.209 . . . . 10.0 111.974 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.08 -44.43 64.36 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.221 1.008 . . . . 10.0 111.845 -172.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.53 -48.32 70.1 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 121.813 -0.554 . . . . 10.0 110.122 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 42.9 mtt -53.48 -43.98 68.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.497 0.665 . . . . 10.0 109.881 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -60.41 -8.71 2.86 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.11 1.364 . . . . 10.0 113.972 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 71.9 m -49.41 -47.79 47.67 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 121.539 1.972 . . . . 10.0 111.958 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.96 -37.17 78.8 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.525 -0.735 . . . . 10.0 111.167 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -62.61 -44.09 97.17 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.054 0.542 . . . . 10.0 110.45 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -55.58 -48.93 74.01 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.718 0.69 . . . . 10.0 110.413 172.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 38.9 mt -56.0 -54.97 38.39 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.75 0.42 . . . . 10.0 110.806 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -55.44 -44.62 76.49 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.542 0.737 . . . . 10.0 110.87 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.27 -52.7 47.69 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.232 -0.747 . . . . 10.0 111.232 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -55.26 -36.19 65.8 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.404 1.082 . . . . 10.0 110.943 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -68.28 -60.25 2.59 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.082 0.553 . . . . 10.0 110.071 171.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.19 58.69 2.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.292 1.037 . . . . 10.0 111.969 -170.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.14 -1.409 . . . . 10.0 110.496 175.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 111.324 -0.711 . . . . 10.0 111.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 m -64.13 -33.65 63.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 118.207 1.004 . . . . 10.0 111.685 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -84.6 111.6 19.68 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 118.279 0.491 . . . . 10.0 109.962 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -132.86 10.17 4.24 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.704 1.202 . . . . 10.0 111.734 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.96 -61.92 3.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.065 -1.214 . . . . 10.0 110.065 -170.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -65.91 -31.49 72.45 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.382 0.673 . . . . 10.0 111.841 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -38.61 -55.19 1.47 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.315 1.846 . . . . 10.0 112.574 -172.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.94 -25.17 68.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.797 1.239 . . . . 10.0 112.873 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.45 -19.4 62.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.887 0.475 . . . . 10.0 110.725 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.0 t -102.48 102.93 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -67.68 161.33 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.315 0.646 . . . . 10.0 111.848 -174.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -53.34 -43.32 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.489 170.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.97 -45.66 91.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.231 -0.414 . . . . 10.0 110.655 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.16 -45.45 93.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.01 0.823 . . . . 10.0 111.021 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -53.44 -49.36 67.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.499 -0.75 . . . . 10.0 109.706 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -56.44 -48.11 77.69 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.035 0.934 . . . . 10.0 111.545 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.13 -44.41 94.94 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.347 1.059 . . . . 10.0 109.914 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.93 -47.44 80.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.739 -0.601 . . . . 10.0 110.428 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -49.84 -51.34 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 118.906 0.776 . . . . 10.0 110.404 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -53.07 -52.21 59.29 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.765 -0.585 . . . . 10.0 110.628 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -52.97 -42.1 65.19 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.754 0.707 . . . . 10.0 112.055 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.44 -52.19 66.37 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.44 1.018 . . . . 10.0 109.561 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.6 t -53.88 -50.86 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.727 -0.654 . . . . 10.0 110.025 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -58.48 -47.16 84.97 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.734 0.697 . . . . 10.0 112.002 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.52 98.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.573 0.749 . . . . 10.0 110.408 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.24 -62.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.619 -0.882 . . . . 10.0 108.619 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -130.55 98.88 19.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 127.256 2.222 . . . . 10.0 109.868 -169.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.23 107.34 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 121.678 1.585 . . . . 10.0 109.945 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -68.32 137.84 91.54 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-O 118.911 -0.566 . . . . 10.0 110.273 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.68 -38.81 37.53 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.21 2.606 . . . . 10.0 112.764 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -151.06 138.06 11.78 Favored Pre-proline 0 N--CA 1.452 -0.345 0 N-CA-C 107.442 -1.318 . . . . 10.0 107.442 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -45.69 -39.75 18.37 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.244 2.629 . . . . 10.0 112.963 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.92 18.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.421 0.688 . . . . 10.0 112.736 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.48 -13.36 62.09 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.784 0.833 . . . . 10.0 112.579 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.6 mt -54.93 -37.48 66.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.123 0.874 . . . . 10.0 112.083 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -78.92 56.52 1.96 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.737 -0.602 . . . . 10.0 111.571 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -126.89 145.45 50.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.174 1.39 . . . . 10.0 110.095 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -50.45 -42.53 54.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.009 1.324 . . . . 10.0 112.173 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.64 -56.54 6.22 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.5 mmm -51.44 -38.31 53.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.373 1.069 . . . . 10.0 112.713 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -43.64 -36.36 2.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.182 0.993 . . . . 10.0 112.733 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.36 -48.74 71.91 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.864 -0.523 . . . . 10.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.49 -43.86 96.04 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -54.8 -52.57 41.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.337 0.655 . . . . 10.0 109.69 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.9 -50.94 69.3 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.255 0.622 . . . . 10.0 110.897 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -54.4 -51.7 64.06 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 122.632 0.373 . . . . 10.0 110.488 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.55 82.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.219 0.608 . . . . 10.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.51 -53.24 59.79 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.309 0.504 . . . . 10.0 110.319 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -52.31 -55.06 23.95 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.37 0.668 . . . . 10.0 110.943 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.88 -46.57 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 122.916 0.487 . . . . 10.0 110.664 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.37 -47.57 81.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 119.152 0.887 . . . . 10.0 110.247 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.59 -55.8 20.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.565 -1.014 . . . . 10.0 110.565 174.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -49.99 -51.5 41.18 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.415 0.686 . . . . 10.0 110.997 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.7 mmt -61.83 -42.61 99.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.055 -0.497 . . . . 10.0 111.387 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -56.26 -48.76 75.92 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.693 0.678 . . . . 10.0 110.14 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -64.11 -35.48 80.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.363 0.665 . . . . 10.0 112.404 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.8 m -78.43 -46.74 19.05 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 117.17 4.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.181 1.392 . . . . 10.0 114.279 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 p30 -72.88 -8.26 54.77 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.508 1.123 . . . . 10.0 113.367 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -158.4 152.62 24.12 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.967 -1.124 . . . . 10.0 107.967 -174.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.1 -40.75 74.15 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.426 0.69 . . . . 10.0 110.09 170.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.58 -47.89 80.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.379 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -58.77 -52.6 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 176.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -47.08 -52.11 16.03 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.737 1.215 . . . . 10.0 111.551 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.93 -54.27 48.12 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.786 -0.571 . . . . 10.0 111.264 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -52.12 -62.66 1.5 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.253 0.621 . . . . 10.0 112.155 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.323 0.4 OUTLIER -65.68 -28.49 69.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.508 -0.758 . . . . 10.0 112.625 -175.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.36 -56.01 19.8 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 120.024 1.284 . . . . 10.0 110.183 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.8 70.44 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.291 -0.256 . . . . 10.0 110.584 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.08 -46.14 85.96 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.165 0.586 . . . . 10.0 110.949 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.94 -51.22 70.03 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.579 -0.701 . . . . 10.0 110.28 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.37 -54.39 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -50.05 -55.07 16.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 10.0 109.572 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -57.5 -52.11 66.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.258 0.623 . . . . 10.0 111.826 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.5 mt -50.0 -52.87 12.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -56.31 -58.5 7.71 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.505 0.593 . . . . 10.0 111.337 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -48.51 -49.48 35.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.733 0.813 . . . . 10.0 112.31 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.32 -56.04 5.01 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.87 0.868 . . . . 10.0 111.32 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.1 tp -75.3 -42.05 55.61 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.562 1.145 . . . . 10.0 111.519 -169.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -109.37 77.79 1.09 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 106.968 -1.493 . . . . 10.0 106.968 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -19.6 108.59 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 128.841 2.856 . . . . 10.0 114.555 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -30.59 -18.69 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 130.813 3.645 . . . . 10.0 119.674 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.42 -40.71 7.74 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.076 1.307 . . . . 10.0 110.528 175.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -82.55 -36.1 26.59 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.165 1.386 . . . . 10.0 110.581 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.5 p 46.6 -111.8 0.36 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.014 1.326 . . . . 10.0 111.847 -169.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -84.85 -5.86 59.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.262 0.625 . . . . 10.0 112.157 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.2 tp . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.017 -1.468 . . . . 10.0 110.049 178.702 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.38 -0.23 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -55.09 -37.33 66.67 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.12 -0.987 . . . . 10.0 110.55 172.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -47.81 -52.73 17.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.922 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -53.87 -56.58 16.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.51 1.524 . . . . 10.0 108.202 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -49.56 -53.16 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 122.996 0.519 . . . . 10.0 109.832 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -65.14 -58.19 6.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.635 -0.698 . . . . 10.0 111.777 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.69 -42.74 71.79 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.499 1.045 . . . . 10.0 110.825 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.21 -49.98 73.6 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.89 0.876 . . . . 10.0 111.124 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.22 -54.86 40.77 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.491 0.662 . . . . 10.0 109.663 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.94 -38.93 80.13 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.44 1.096 . . . . 10.0 111.669 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 57.8 tp -48.02 -50.98 25.86 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.435 0.694 . . . . 10.0 110.496 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.49 -53.26 20.02 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 26.0 mmt -48.29 -42.56 31.22 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.696 -0.627 . . . . 10.0 112.499 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.7 p -56.43 -23.88 41.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.889 0.876 . . . . 10.0 113.309 -175.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.9 m -51.51 -35.4 40.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.863 -0.589 . . . . 10.0 112.192 -173.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.1 -53.67 55.71 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.315 0.961 . . . . 10.0 111.091 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -42.22 86.03 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 121.89 -0.506 . . . . 10.0 109.648 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -56.97 -47.61 80.36 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.568 0.347 . . . . 10.0 110.078 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.9 tp -59.91 -58.63 7.7 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.324 1.45 . . . . 10.0 109.201 175.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -52.4 -37.03 55.56 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.836 0.289 . . . . 10.0 111.191 -176.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.66 -75.5 0.41 Allowed Glycine 0 CA--C 1.532 1.131 0 N-CA-C 111.471 -0.652 . . . . 10.0 111.471 169.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -55.09 -44.58 75.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.79 0.836 . . . . 10.0 112.798 -169.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.41 -19.35 63.81 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.807 0.843 . . . . 10.0 111.836 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -95.47 -41.75 8.81 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.684 0.674 . . . . 10.0 110.65 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.504 -1.236 . . . . 10.0 111.261 -176.703 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.204 0 N-CA-C 111.566 -0.614 . . . . 10.0 111.566 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -76.84 64.28 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.684 0.793 . . . . 10.0 111.224 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -28.77 -61.15 0.12 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.319 2.248 . . . . 10.0 113.898 -173.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -112.27 22.19 14.99 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.377 1.071 . . . . 10.0 110.943 -171.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.52 -73.36 0.77 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -52.67 -24.85 9.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.763 1.225 . . . . 10.0 111.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.441 ' CG ' ' HH ' ' A' ' 55' ' ' TYR . 5.1 t60 -34.25 -44.85 0.2 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.251 1.82 . . . . 10.0 111.293 169.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.75 -33.69 10.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.852 1.261 . . . . 10.0 113.429 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -75.05 -18.39 60.32 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.584 1.154 . . . . 10.0 112.379 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.63 130.16 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.461 0.705 . . . . 10.0 111.875 -169.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -88.05 158.41 18.61 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.092 0.957 . . . . 10.0 111.123 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -57.77 -42.6 84.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.913 0.885 . . . . 10.0 108.97 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.04 -49.32 71.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.126 0.971 . . . . 10.0 110.173 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.7 -48.06 83.19 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.974 -0.536 . . . . 10.0 110.915 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -52.58 -50.6 62.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.48 1.036 . . . . 10.0 110.594 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.2 m -55.08 -52.2 63.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.116 0.966 . . . . 10.0 110.964 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -66.4 -31.34 72.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.726 0.811 . . . . 10.0 110.656 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -67.63 -50.78 56.37 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.924 -1.11 . . . . 10.0 110.383 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.51 -50.7 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 171.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -49.04 -51.63 30.04 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.555 -0.735 . . . . 10.0 110.835 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -40.48 72.98 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 119.088 0.858 . . . . 10.0 110.099 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.82 -58.16 9.01 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 174.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -54.32 -63.14 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -38.43 -50.18 1.5 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.697 2.799 . . . . 10.0 112.494 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.75 -54.08 18.13 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 122.035 -0.416 . . . . 10.0 110.671 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.88 -39.57 82.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 122.827 0.451 . . . . 10.0 110.48 -176.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -151.94 103.02 2.83 Favored Pre-proline 0 N--CA 1.449 -0.501 0 C-N-CA 127.359 2.264 . . . . 10.0 107.796 -169.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.3 125.11 12.97 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.549 1.499 . . . . 10.0 110.802 -173.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 p -69.9 118.94 68.08 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.698 1.199 . . . . 10.0 110.161 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.74 -43.38 59.73 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.659 2.239 . . . . 10.0 112.468 173.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -162.85 147.04 9.05 Favored Pre-proline 0 CA--C 1.53 0.183 0 N-CA-C 106.797 -1.557 . . . . 10.0 106.797 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.03 -44.54 14.96 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.819 2.346 . . . . 10.0 113.393 172.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.63 -31.48 62.34 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.614 -0.679 . . . . 10.0 112.18 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.57 -25.41 59.95 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.978 -0.451 . . . . 10.0 111.474 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.65 -18.65 32.46 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.43 0.559 . . . . 10.0 112.36 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -66.29 -21.05 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.641 0.655 . . . . 10.0 112.299 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.7 149.43 39.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.889 0.768 . . . . 10.0 110.912 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -63.63 -51.68 64.14 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.189 0.596 . . . . 10.0 112.207 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -59.78 -44.77 93.74 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -57.14 -53.05 62.45 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.791 -0.623 . . . . 10.0 110.511 174.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.13 -40.85 67.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.227 0.921 . . . . 10.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -62.25 -46.18 90.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.826 -0.546 . . . . 10.0 110.902 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.3 -38.99 93.02 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.436 -0.79 . . . . 10.0 110.973 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.32 -48.84 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.254 1.422 . . . . 10.0 109.086 172.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.75 80.27 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.951 -0.468 . . . . 10.0 110.543 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.71 -50.75 67.55 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.386 -0.196 . . . . 10.0 110.476 174.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.9 -47.88 76.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.924 0.489 . . . . 10.0 111.187 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.18 -53.06 61.63 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.197 0.599 . . . . 10.0 110.52 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -52.6 -56.78 12.92 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.483 0.713 . . . . 10.0 110.332 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -42.65 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -57.39 -48.15 79.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.97 0.804 . . . . 10.0 110.207 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.56 -50.35 57.51 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.457 -0.657 . . . . 10.0 111.457 174.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.62 -50.85 64.81 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.164 -0.609 . . . . 10.0 110.658 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.12 -41.58 96.95 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 119.413 -0.327 . . . . 10.0 111.122 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.441 ' HH ' ' CG ' ' A' ' 7' ' ' HIS . 6.4 t80 -54.0 -51.24 64.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.975 0.51 . . . . 10.0 110.415 177.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -63.29 -40.33 97.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.085 0.554 . . . . 10.0 111.125 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 m -67.72 -42.92 81.15 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.926 -0.484 . . . . 10.0 112.186 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.25 121.01 19.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.715 1.206 . . . . 10.0 111.905 -169.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.68 22.85 5.87 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.679 -0.638 . . . . 10.0 110.373 173.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 t -165.63 148.97 7.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -53.31 -46.28 69.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.145 0.978 . . . . 10.0 109.278 169.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.24 -42.25 98.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.072 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.28 -53.44 57.65 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -46.53 -51.31 15.73 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.574 1.15 . . . . 10.0 111.325 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -56.05 -56.97 14.38 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.774 -0.579 . . . . 10.0 111.353 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.73 -58.19 8.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.325 0.4 OUTLIER -66.38 -28.02 68.32 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.643 -0.661 . . . . 10.0 112.169 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.18 -52.65 57.94 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 119.762 1.164 . . . . 10.0 110.387 169.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.16 -47.74 71.62 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.369 . . . . 10.0 110.593 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -57.58 -49.41 76.48 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.006 0.523 . . . . 10.0 110.787 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -54.64 -50.72 67.46 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.886 -0.509 . . . . 10.0 110.296 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.2 -51.07 42.98 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 175.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -55.5 16.21 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.629 0.772 . . . . 10.0 109.409 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -56.89 -50.08 73.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.006 -0.521 . . . . 10.0 111.808 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.03 -53.54 10.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.979 0.809 . . . . 10.0 109.57 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.67 -48.66 80.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.103 0.41 . . . . 10.0 110.525 -176.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -57.22 -55.84 29.57 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.787 0.435 . . . . 10.0 111.85 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -66.79 -50.5 62.47 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.528 0.731 . . . . 10.0 111.635 -175.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.5 tp -79.98 -9.23 59.67 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.091 1.756 . . . . 10.0 112.81 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -37.08 -48.01 0.78 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.553 1.541 . . . . 10.0 113.797 -172.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.55 -47.74 57.62 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.013 0.525 . . . . 10.0 111.884 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -74.35 -36.98 63.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.443 0.697 . . . . 10.0 109.945 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.8 mtp-105 -56.7 -33.63 66.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.207 0.458 . . . . 10.0 111.245 172.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 mtm105 -73.71 -57.44 3.98 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.107 -0.995 . . . . 10.0 108.934 169.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -77.29 59.12 1.75 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.368 1.067 . . . . 10.0 112.298 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -74.99 75.05 2.2 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.725 -0.609 . . . . 10.0 111.751 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.038 -1.458 . . . . 10.0 110.405 169.422 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.513 -0.181 . . . . 10.0 110.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -44.78 -55.21 5.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.299 1.04 . . . . 10.0 111.333 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -61.54 -36.07 79.54 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.304 -0.862 . . . . 10.0 111.277 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -50.88 61.39 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.28 -51.47 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -66.18 -49.0 68.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 119.032 -0.509 . . . . 10.0 111.488 -173.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.16 -42.53 95.13 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.826 0.739 . . . . 10.0 110.015 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.13 -53.45 57.9 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.652 0.381 . . . . 10.0 110.501 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.62 -48.09 80.38 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.948 0.499 . . . . 10.0 110.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.86 -38.06 89.72 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.421 1.089 . . . . 10.0 112.109 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.4 -54.34 14.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.07 0.948 . . . . 10.0 110.644 -174.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -53.4 49.19 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 18.5 mmt -42.17 -48.52 4.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.678 1.191 . . . . 10.0 111.339 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.7 p -69.55 -9.45 54.03 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.36 1.245 . . . . 10.0 114.36 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.4 m -46.85 -55.64 7.63 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.801 1.037 . . . . 10.0 113.801 -169.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.09 -40.95 77.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.685 1.584 . . . . 10.0 112.221 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.66 -51.96 67.15 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -49.0 72.8 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.697 0.799 . . . . 10.0 110.379 175.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.5 tp -53.66 -60.93 2.68 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.07 1.748 . . . . 10.0 109.619 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -61.03 -39.03 88.24 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.117 -0.633 . . . . 10.0 110.186 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.7 -36.36 8.2 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.71 1.148 . . . . 10.0 112.958 173.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -55.01 -19.92 8.01 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.291 1.045 . . . . 10.0 113.039 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -60.43 -24.23 65.03 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.372 0.987 . . . . 10.0 112.62 175.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.22 63.04 1.83 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.389 0.676 . . . . 10.0 112.018 -172.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.252 1.203 0 CA-C-O 117.388 -1.291 . . . . 10.0 109.676 172.018 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 112.118 -0.393 . . . . 10.0 112.118 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.4 m -87.51 159.93 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 122.795 0.438 . . . . 10.0 110.293 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.6 mmm-85 0.66 -100.41 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 129.068 2.947 . . . . 10.0 115.571 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -83.42 12.57 5.35 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.606 1.094 . . . . 10.0 112.859 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.34 -69.67 1.36 Allowed Glycine 0 CA--C 1.526 0.759 0 O-C-N 120.66 -1.275 . . . . 10.0 110.378 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -53.07 -35.97 60.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.09 0.956 . . . . 10.0 111.807 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -39.36 -39.57 0.68 Allowed 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.683 1.593 . . . . 10.0 112.548 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -49.94 -35.06 22.59 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.171 0.988 . . . . 10.0 113.276 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -104.27 15.44 28.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.16 88.46 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 124.063 0.945 . . . . 10.0 108.517 172.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 p -87.97 163.31 16.39 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.903 1.681 . . . . 10.0 111.916 -171.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -43.15 -43.92 4.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.04 1.736 . . . . 10.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.92 -44.58 89.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.772 -0.58 . . . . 10.0 111.448 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.78 -45.05 91.47 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -53.61 -46.58 70.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.008 -0.433 . . . . 10.0 110.501 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -58.05 -50.15 74.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.842 0.857 . . . . 10.0 111.194 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -63.9 -36.93 85.55 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.833 -0.542 . . . . 10.0 110.467 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.43 -48.31 78.31 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.075 -1.015 . . . . 10.0 110.77 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.92 -49.06 28.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.685 0.675 . . . . 10.0 109.854 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -54.09 -50.65 66.34 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.035 -0.507 . . . . 10.0 110.653 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.67 -43.72 72.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.866 0.757 . . . . 10.0 111.305 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.0 mt -54.07 -54.74 35.26 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.228 0.922 . . . . 10.0 109.68 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.27 -53.84 17.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 CA-C-O 118.368 -0.825 . . . . 10.0 109.653 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -55.81 -51.81 66.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.037 0.835 . . . . 10.0 111.682 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.34 88.82 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.254 0.622 . . . . 10.0 111.233 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.25 -39.95 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 122.626 0.37 . . . . 10.0 110.458 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -155.17 99.83 2.32 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.578 1.551 . . . . 10.0 110.368 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.84 119.57 6.62 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.6 1.533 . . . . 10.0 109.582 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p -75.66 121.05 84.32 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 117.743 -1.123 . . . . 10.0 110.682 -170.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.52 -41.36 60.83 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.047 2.498 . . . . 10.0 113.196 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -158.56 139.29 9.26 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 117.513 -1.232 . . . . 10.0 107.895 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -43.29 -44.03 10.25 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.359 2.706 . . . . 10.0 113.452 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.8 50.35 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.701 -0.624 . . . . 10.0 112.115 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -25.63 39.02 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.746 0.818 . . . . 10.0 111.981 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -55.37 -19.28 8.51 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -59.09 -29.05 67.06 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.773 0.715 . . . . 10.0 112.693 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.48 136.63 54.92 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.582 -0.699 . . . . 10.0 110.775 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -46.27 18.11 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.6 1.16 . . . . 10.0 112.759 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -58.97 -46.46 88.03 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.0 mmm -64.1 -47.48 79.88 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 118.805 -0.617 . . . . 10.0 109.944 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.47 -44.05 65.33 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.132 0.878 . . . . 10.0 110.812 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.34 -45.61 92.43 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.984 -0.447 . . . . 10.0 111.028 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.96 -43.79 97.83 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.491 -0.755 . . . . 10.0 110.94 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.5 -51.24 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 125.341 1.457 . . . . 10.0 108.797 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.95 73.86 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.532 0.333 . . . . 10.0 110.727 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -54.95 -49.81 70.43 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.078 0.399 . . . . 10.0 110.825 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.76 -46.47 87.39 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.892 0.477 . . . . 10.0 111.013 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.21 -53.53 56.05 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.9 0.48 . . . . 10.0 110.516 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.42 -51.91 61.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.417 0.687 . . . . 10.0 110.72 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -44.23 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 119.356 -0.354 . . . . 10.0 110.554 -176.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -54.4 -46.15 73.05 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.946 0.794 . . . . 10.0 110.232 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.22 -55.21 22.86 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.759 -0.936 . . . . 10.0 110.759 173.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.25 -49.51 61.02 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.218 0.607 . . . . 10.0 110.842 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mmt -61.85 -46.98 87.09 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.339 -0.226 . . . . 10.0 111.296 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.54 -43.16 75.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.094 0.958 . . . . 10.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.72 -46.77 71.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.83 0.852 . . . . 10.0 111.689 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -69.04 -41.56 77.5 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 113.18 3.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -169.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -57.09 -30.93 64.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.029 1.332 . . . . 10.0 113.207 171.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 p -143.99 163.46 33.41 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.185 0.994 . . . . 10.0 110.028 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -56.83 -44.71 82.34 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.39 -55.54 18.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.92 0.888 . . . . 10.0 110.193 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -54.9 -51.32 66.38 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -51.67 -51.66 54.11 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.115 0.966 . . . . 10.0 111.767 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -60.25 -48.8 80.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.992 -0.442 . . . . 10.0 110.631 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -54.52 -62.34 1.72 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.271 -0.395 . . . . 10.0 111.925 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.86 -30.14 70.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.275 0.943 . . . . 10.0 112.988 -175.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.2 mt -64.62 -55.06 22.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.069 1.304 . . . . 10.0 110.749 171.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.71 78.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.104 -0.372 . . . . 10.0 110.165 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.74 -45.91 92.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.687 0.795 . . . . 10.0 110.886 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -53.23 -52.58 58.48 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.701 0.682 . . . . 10.0 109.895 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.0 mt -53.51 -54.83 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.882 0.373 . . . . 10.0 110.445 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.83 -53.6 18.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.881 1.672 . . . . 10.0 109.474 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -55.93 -54.08 49.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.602 -0.714 . . . . 10.0 111.102 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.97 -58.84 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 119.001 0.818 . . . . 10.0 109.736 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -52.17 -59.07 4.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.884 0.311 . . . . 10.0 111.142 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -49.52 73.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.84 1.256 . . . . 10.0 111.638 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -63.42 -52.43 61.59 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.66 0.743 . . . . 10.0 110.911 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.81 -44.57 69.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.85 0.86 . . . . 10.0 112.04 -169.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -35.35 66.8 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.702 0.801 . . . . 10.0 112.32 -175.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -51.68 -42.95 62.54 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.054 -0.403 . . . . 10.0 110.532 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -14.38 62.05 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.224 0.61 . . . . 10.0 111.468 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -83.02 -54.04 5.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.45 -0.945 . . . . 10.0 108.45 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -68.81 -37.9 79.54 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.827 1.047 . . . . 10.0 113.827 -171.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.5 m -73.71 41.6 0.12 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.397 1.628 . . . . 10.0 115.397 -169.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -82.71 68.21 9.09 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.084 -1.01 . . . . 10.0 108.827 173.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.251 1.135 0 CA-C-O 117.318 -1.325 . . . . 10.0 108.982 -177.334 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -92.42 -73.1 0.56 Allowed 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 123.83 0.852 . . . . 10.0 111.384 -172.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -52.09 -36.17 50.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.437 0.695 . . . . 10.0 111.366 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.86 -40.88 4.76 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.666 1.186 . . . . 10.0 111.894 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.1 mm -53.43 -53.16 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.145 0.978 . . . . 10.0 110.208 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -49.11 40.68 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 -169.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.91 -38.72 76.37 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.692 -0.194 . . . . 10.0 110.825 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.22 -51.8 67.46 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.357 0.663 . . . . 10.0 110.806 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.97 -55.0 35.62 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.508 0.67 . . . . 10.0 109.95 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.74 -42.28 78.99 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.826 0.85 . . . . 10.0 111.908 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.04 -52.01 37.68 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 123.966 0.906 . . . . 10.0 110.31 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.65 -54.83 16.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 62.3 mtt -51.58 -36.54 45.81 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 40.6 m -69.51 -13.32 62.28 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 14.5 m -51.32 -48.31 62.41 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.561 1.528 . . . . 10.0 111.685 -175.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -60.96 -42.95 99.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.024 -0.423 . . . . 10.0 111.529 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -56.37 -45.76 80.35 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -57.87 10.72 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 174.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.0 -37.31 76.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.011 0.745 . . . . 10.0 113.011 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -78.09 57.64 1.84 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.803 0.841 . . . . 10.0 111.827 -174.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.86 -41.18 2.25 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.798 1.19 . . . . 10.0 113.47 169.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -62.96 -39.48 94.8 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.373 0.587 . . . . 10.0 111.279 -169.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -70.45 79.73 0.56 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.049 0.54 . . . . 10.0 109.602 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.04 146.62 14.22 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.886 0.475 . . . . 10.0 109.951 169.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.161 -1.399 . . . . 10.0 110.253 -177.331 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.19 0 N-CA-C 111.304 -0.718 . . . . 10.0 111.304 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 m -64.31 102.45 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.726 0.41 . . . . 10.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.6 mmt-85 -67.43 -33.06 74.38 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.744 -0.597 . . . . 10.0 110.595 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -132.95 153.39 51.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.597 1.559 . . . . 10.0 107.279 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.67 30.93 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 118.915 0.779 . . . . 10.0 111.352 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -60.48 -20.94 61.7 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.864 0.865 . . . . 10.0 112.989 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -55.83 -32.79 63.9 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.776 0.83 . . . . 10.0 111.511 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -38.33 -37.69 0.31 Allowed 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.575 1.55 . . . . 10.0 112.788 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -106.63 5.61 29.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.993 1.109 . . . . 10.0 113.993 -171.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.96 111.68 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 119.318 0.963 . . . . 10.0 110.311 -174.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.6 p -78.74 163.5 25.34 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 122.239 1.019 . . . . 10.0 112.376 -174.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -60.75 -43.78 97.55 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.704 -1.135 . . . . 10.0 109.741 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.57 -48.52 69.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 10.0 110.398 174.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.84 -52.19 66.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 119.249 -0.405 . . . . 10.0 110.982 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -51.63 -47.96 63.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.077 0.853 . . . . 10.0 111.682 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -61.43 -45.3 94.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.159 0.984 . . . . 10.0 110.845 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -69.89 -33.15 71.83 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.514 -0.742 . . . . 10.0 110.333 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.64 -47.34 84.17 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.389 -1.444 . . . . 10.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.36 -47.51 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.17 -48.72 67.78 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.67 -0.644 . . . . 10.0 111.869 174.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -55.83 -45.5 78.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.899 -0.572 . . . . 10.0 111.048 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.32 -52.79 60.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.801 0.728 . . . . 10.0 109.757 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.2 t -52.57 -50.28 40.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 117.995 -1.002 . . . . 10.0 109.927 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -59.85 -47.87 83.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 10.0 111.154 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.09 -36.74 84.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.427 0.691 . . . . 10.0 111.415 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.16 -37.72 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.464 0.706 . . . . 10.0 110.769 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -156.51 91.22 2.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 126.34 1.856 . . . . 10.0 110.517 -168.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.42 114.8 1.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.815 2.343 . . . . 10.0 110.893 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -83.1 131.22 54.32 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 -171.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.71 -40.9 9.09 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.51 2.14 . . . . 10.0 112.126 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -155.78 140.23 11.81 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-O 117.595 -1.193 . . . . 10.0 108.285 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -42.61 -45.63 8.35 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.459 2.773 . . . . 10.0 113.802 172.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.4 -32.39 57.08 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 10.0 112.211 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.53 -24.86 61.62 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.128 0.571 . . . . 10.0 111.592 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.76 -20.9 24.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.421 0.555 . . . . 10.0 112.214 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -66.25 -19.48 65.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.13 149.56 47.46 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 0.801 . . . . 10.0 111.023 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.93 77.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.095 0.558 . . . . 10.0 111.849 -174.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -63.73 -46.6 84.65 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 79.2 mmm -53.49 -53.39 52.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 119.33 -0.367 . . . . 10.0 110.298 171.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.03 -40.91 64.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.561 0.744 . . . . 10.0 111.396 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -60.72 -47.55 85.76 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.837 -0.54 . . . . 10.0 110.891 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.74 -43.34 99.07 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.529 -0.732 . . . . 10.0 110.708 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.56 -49.94 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.5 1.12 . . . . 10.0 109.238 174.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.41 77.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.708 0.403 . . . . 10.0 110.927 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.38 -49.33 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.132 -0.355 . . . . 10.0 110.858 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.64 90.55 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.89 0.476 . . . . 10.0 111.022 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -56.12 -52.57 63.87 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.943 0.497 . . . . 10.0 110.244 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -53.22 -55.84 21.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.268 0.627 . . . . 10.0 110.377 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -45.63 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 119.324 -0.37 . . . . 10.0 110.612 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.09 -45.45 75.42 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.092 0.86 . . . . 10.0 110.743 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.78 -54.08 32.75 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -51.77 -49.52 62.48 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.381 0.672 . . . . 10.0 110.682 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 19.8 mmt -60.4 -43.82 96.3 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.188 -0.435 . . . . 10.0 110.97 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.13 -50.97 67.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.31 0.505 . . . . 10.0 110.153 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -64.25 -37.14 86.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.075 0.55 . . . . 10.0 111.68 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 m -68.2 -41.03 81.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.611 0.72 . . . . 10.0 111.851 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.29 103.27 1.56 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.433 1.093 . . . . 10.0 112.974 -169.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.42 -23.14 62.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.88 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -144.57 167.53 22.3 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.767 0.827 . . . . 10.0 110.093 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.02 -46.55 88.71 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.555 1.542 . . . . 10.0 110.26 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -48.25 -53.33 17.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.988 0.515 . . . . 10.0 110.875 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -57.15 -52.05 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.014 -0.517 . . . . 10.0 110.029 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -46.29 -51.13 15.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.273 0.629 . . . . 10.0 112.077 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -64.18 -49.77 70.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.97 -0.456 . . . . 10.0 111.206 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.72 -60.47 3.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -66.23 -30.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.985 0.811 . . . . 10.0 112.831 -174.207 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 mt -65.31 -51.99 57.0 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.553 1.069 . . . . 10.0 110.74 172.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.14 83.41 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.76 -0.588 . . . . 10.0 110.412 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.12 -49.15 76.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.765 0.826 . . . . 10.0 110.372 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -52.07 -53.01 47.5 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.325 0.65 . . . . 10.0 110.211 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.91 -52.65 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.193 0.521 . . . . 10.0 111.019 175.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.48 -51.57 64.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.225 1.01 . . . . 10.0 109.292 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -56.64 -50.44 72.05 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-O 118.434 -0.793 . . . . 10.0 111.432 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.12 -58.96 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 119.29 0.95 . . . . 10.0 109.461 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -53.46 -55.18 27.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.507 0.594 . . . . 10.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -55.35 -48.02 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -68.7 -45.27 72.05 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.763 0.825 . . . . 10.0 110.817 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.16 -39.71 63.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.69 1.196 . . . . 10.0 110.905 -170.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -72.64 70.54 0.94 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.289 0.636 . . . . 10.0 109.739 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -46.13 -35.09 4.7 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.324 1.45 . . . . 10.0 113.263 -174.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -45.46 -47.83 13.91 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.709 1.204 . . . . 10.0 110.918 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -50.78 -58.63 5.46 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.809 0.844 . . . . 10.0 109.836 176.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.1 mtm105 -61.29 -37.54 83.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.676 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.8 p -62.85 -47.17 84.55 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.078 0.399 . . . . 10.0 110.187 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 59.9 mmt-85 -80.25 60.1 3.6 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 176.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.967 1.707 . . . . 10.0 114.399 -169.865 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.463 -0.303 . . . . 10.0 111.646 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -11.11 -72.38 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 128.368 2.667 . . . . 10.0 115.894 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.01 -47.27 85.82 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.173 0.589 . . . . 10.0 110.845 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -59.9 -44.11 94.43 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.206 0.602 . . . . 10.0 110.023 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.27 -49.99 59.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -62.75 -46.77 86.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 119.477 -0.297 . . . . 10.0 110.792 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -55.84 -49.46 73.23 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.257 0.48 . . . . 10.0 111.205 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.23 -50.61 72.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.165 0.986 . . . . 10.0 110.141 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.94 -48.26 76.05 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.244 0.618 . . . . 10.0 109.896 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.27 -41.21 97.02 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.121 1.369 . . . . 10.0 112.092 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 tp -44.65 -48.54 10.54 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 125.319 1.448 . . . . 10.0 111.778 -173.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -39.57 84.92 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.05 -0.406 . . . . 10.0 110.63 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 28.7 mtt -73.99 -39.51 63.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.88 0.872 . . . . 10.0 110.632 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.2 p -51.11 -29.38 13.15 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.47 0.708 . . . . 10.0 112.714 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -37.84 -47.25 1.01 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.973 1.309 . . . . 10.0 111.841 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.82 -31.69 68.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.527 0.731 . . . . 10.0 111.986 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -80.49 -43.98 19.93 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.956 0.902 . . . . 10.0 109.659 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -54.63 -43.73 72.55 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.996 0.427 . . . . 10.0 110.523 174.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mp -93.77 20.74 7.22 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.337 1.855 . . . . 10.0 111.459 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 4.22 70.33 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 129.727 3.211 . . . . 10.0 115.314 -170.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.58 75.36 0.38 Allowed Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.912 1.72 . . . . 10.0 110.55 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -88.12 3.69 48.21 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.478 1.111 . . . . 10.0 112.399 -175.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.05 76.62 1.72 Allowed 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 119.502 1.046 . . . . 10.0 109.775 176.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.66 -64.51 0.47 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.326 1.45 . . . . 10.0 112.904 -175.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 C--O 1.252 1.22 0 CA-C-O 116.75 -1.595 . . . . 10.0 108.509 -174.846 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.229 0 N-CA-C 111.658 -0.577 . . . . 10.0 111.658 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 m -75.87 66.17 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.572 1.149 . . . . 10.0 110.928 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -60.97 -30.75 70.44 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 -170.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -110.27 144.94 38.23 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.875 0.87 . . . . 10.0 109.212 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.89 49.87 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.675 -0.57 . . . . 10.0 111.675 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.43 -9.63 58.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.751 0.82 . . . . 10.0 112.822 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -50.4 -46.36 56.2 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.837 0.744 . . . . 10.0 109.779 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.83 -30.54 14.6 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.841 0.856 . . . . 10.0 112.601 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -78.76 -42.73 27.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.447 0.699 . . . . 10.0 110.453 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.39 89.64 1.94 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 123.419 0.688 . . . . 10.0 109.919 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.7 p -59.44 166.0 2.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.874 1.27 . . . . 10.0 112.261 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -58.2 -48.17 81.16 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.718 -1.128 . . . . 10.0 110.493 174.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.96 -47.63 77.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.361 0.664 . . . . 10.0 111.694 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.33 -48.82 79.6 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.765 1.166 . . . . 10.0 110.812 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -60.92 -34.91 75.42 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 120.829 -1.169 . . . . 10.0 111.879 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 m -58.44 -47.76 82.93 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.849 0.75 . . . . 10.0 111.067 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -62.22 -39.61 93.36 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.752 -0.593 . . . . 10.0 110.595 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.45 -47.14 80.19 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.215 -0.928 . . . . 10.0 110.92 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 t -48.5 -51.7 10.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 118.906 0.776 . . . . 10.0 109.883 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -51.41 -53.19 39.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.865 -0.588 . . . . 10.0 110.796 174.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -51.95 -43.24 63.41 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.981 0.81 . . . . 10.0 111.756 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.96 -53.62 54.7 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 118.971 0.805 . . . . 10.0 109.882 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -52.89 -52.61 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 118.823 -0.608 . . . . 10.0 109.754 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -54.51 -49.7 69.6 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.77 0.713 . . . . 10.0 111.613 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.43 87.48 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.392 0.677 . . . . 10.0 111.678 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.11 -43.48 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.342 0.657 . . . . 10.0 110.248 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -166.24 100.0 0.71 Allowed Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.195 1.398 . . . . 10.0 109.234 -169.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.72 127.24 20.44 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.69 2.927 . . . . 10.0 112.553 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -67.79 121.85 81.21 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 117.619 -1.181 . . . . 10.0 110.02 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.02 -42.87 50.94 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.981 2.454 . . . . 10.0 113.045 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -161.76 144.66 9.11 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -43.83 -45.18 11.41 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.112 2.541 . . . . 10.0 113.532 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.38 -34.54 58.06 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.708 -0.62 . . . . 10.0 112.072 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.02 -29.87 58.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.304 0.641 . . . . 10.0 111.425 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt -52.76 -24.81 9.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.413 0.685 . . . . 10.0 112.246 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.25 -17.79 63.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.116 0.784 . . . . 10.0 113.116 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -94.79 139.35 31.4 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.134 0.879 . . . . 10.0 111.72 -172.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -30.04 -53.74 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.323 2.249 . . . . 10.0 112.928 172.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 tpt85 -53.85 -41.39 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.698 1.199 . . . . 10.0 111.582 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -46.95 14.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.658 0.383 . . . . 10.0 110.719 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -48.29 -38.5 18.99 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.435 0.694 . . . . 10.0 111.929 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -56.18 -48.02 77.17 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 173.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 mp -69.71 -41.8 74.86 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.752 -0.592 . . . . 10.0 109.637 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.19 -51.53 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.53 57.23 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.143 0.977 . . . . 10.0 111.085 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.07 -49.21 66.85 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.68 0.392 . . . . 10.0 110.733 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.6 -47.25 86.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.244 0.617 . . . . 10.0 110.692 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -55.04 -52.99 61.45 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.184 0.447 . . . . 10.0 110.66 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -53.12 -55.79 21.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.417 0.687 . . . . 10.0 110.974 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.76 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 122.703 0.401 . . . . 10.0 110.619 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -56.61 -46.79 80.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 121.679 -0.638 . . . . 10.0 109.929 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -58.34 8.02 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -48.9 -51.28 30.84 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.108 0.563 . . . . 10.0 111.071 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.4 mmt -61.19 -43.84 98.24 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 119.229 -0.415 . . . . 10.0 111.773 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -57.99 -45.59 86.58 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.509 0.595 . . . . 10.0 110.246 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.7 -38.58 80.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.789 0.436 . . . . 10.0 111.308 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 m -72.73 -46.2 54.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.551 0.691 . . . . 10.0 112.342 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 115.84 5.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.739 1.215 . . . . 10.0 111.461 -169.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.81 20.37 3.55 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.625 -0.672 . . . . 10.0 110.875 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -167.69 150.48 5.9 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.084 1.354 . . . . 10.0 108.118 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -56.02 -41.57 75.15 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.607 0.763 . . . . 10.0 110.058 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.17 -49.49 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -57.07 -54.82 42.47 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -47.31 -51.98 17.71 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.334 1.054 . . . . 10.0 112.141 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -59.31 -53.57 56.75 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.595 -0.69 . . . . 10.0 110.823 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -52.26 -63.29 1.19 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.966 0.506 . . . . 10.0 112.287 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.302 0.3 OUTLIER -66.95 -25.31 66.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.546 -0.74 . . . . 10.0 112.14 -173.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 mt -65.78 -53.24 42.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 120.027 1.285 . . . . 10.0 110.54 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.12 -45.39 75.54 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.079 -0.388 . . . . 10.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.98 -42.4 98.3 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.836 0.454 . . . . 10.0 110.944 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.94 -52.35 66.14 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.497 -0.752 . . . . 10.0 110.3 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 95.9 mt -50.63 -54.91 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.103 0.478 . . . . 10.0 109.784 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -50.96 -52.86 38.32 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.053 0.941 . . . . 10.0 110.004 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -57.36 -51.07 70.9 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 118.2 -0.905 . . . . 10.0 111.073 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.6 -57.96 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 120.301 1.41 . . . . 10.0 109.199 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -51.69 -58.62 5.86 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.31 0.504 . . . . 10.0 111.21 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -57.11 -55.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.06 0.944 . . . . 10.0 112.465 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -59.6 -50.39 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.126 0.97 . . . . 10.0 110.574 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.62 -38.95 90.86 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.28 0.632 . . . . 10.0 110.302 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.58 -60.81 2.7 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.623 0.769 . . . . 10.0 110.492 172.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -80.88 62.15 4.78 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.177 0.991 . . . . 10.0 111.493 -169.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -51.68 -35.36 42.33 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.235 1.014 . . . . 10.0 110.44 171.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -38.28 -47.48 1.2 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.722 1.609 . . . . 10.0 111.528 169.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.0 mtm105 -86.19 -59.36 2.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.268 0.627 . . . . 10.0 109.861 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.3 m -57.05 -26.23 59.99 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 -169.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -104.74 6.5 34.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.766 0.826 . . . . 10.0 111.752 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.182 -1.39 . . . . 10.0 110.822 -176.42 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -50.83 3.42 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.796 1.238 . . . . 10.0 113.487 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.55 -41.34 98.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.528 0.331 . . . . 10.0 110.668 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.31 89.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.9 -53.18 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.289 0.636 . . . . 10.0 109.815 175.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -64.71 -51.05 64.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.067 -0.492 . . . . 10.0 111.336 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -52.46 -51.34 59.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.575 0.625 . . . . 10.0 110.332 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.05 -52.25 64.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.274 1.029 . . . . 10.0 110.846 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.49 -49.55 76.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.633 0.73 . . . . 10.0 109.978 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.25 -37.16 84.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.259 1.423 . . . . 10.0 111.445 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 tp -49.24 -53.31 22.17 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.135 0.974 . . . . 10.0 110.626 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.13 -52.42 55.36 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.5 mmt -47.65 -40.91 21.04 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.972 0.509 . . . . 10.0 112.098 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 61.5 m -61.58 -25.97 67.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.437 1.273 . . . . 10.0 114.437 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -42.66 -52.57 4.82 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.924 1.238 . . . . 10.0 113.545 -169.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -56.65 -35.89 68.88 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -80.23 -39.15 29.61 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.373 0.669 . . . . 10.0 110.009 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.02 -42.41 69.08 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.97 0.508 . . . . 10.0 109.732 169.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mp -51.28 -40.32 58.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.917 0.887 . . . . 10.0 112.011 170.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -84.31 21.11 1.48 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.457 0.703 . . . . 10.0 111.474 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.27 22.87 74.8 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.532 1.063 . . . . 10.0 113.016 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.2 71.81 1.47 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.387 1.094 . . . . 10.0 110.935 -169.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -76.53 44.95 0.37 Allowed 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.365 -0.834 . . . . 10.0 110.808 173.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -89.02 -39.67 13.52 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.634 0.773 . . . . 10.0 110.262 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.099 -1.429 . . . . 10.0 109.754 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.301 0 N-CA-C 111.618 -0.593 . . . . 10.0 111.618 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.34 70.99 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.319 0.647 . . . . 10.0 109.517 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.27 115.61 17.19 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.402 0.681 . . . . 10.0 110.171 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.78 11.23 6.12 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.857 1.263 . . . . 10.0 110.392 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.74 -67.95 1.61 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 109.203 -1.559 . . . . 10.0 109.203 -169.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -71.38 -18.19 62.37 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.003 0.921 . . . . 10.0 112.411 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -45.56 -44.82 13.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.223 1.009 . . . . 10.0 110.472 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -38.71 -42.54 0.81 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 127.952 2.501 . . . . 10.0 112.842 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -89.09 -2.97 58.78 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.005 1.322 . . . . 10.0 111.933 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.56 89.9 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 123.965 0.906 . . . . 10.0 108.923 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 p -86.11 173.73 9.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.636 1.574 . . . . 10.0 111.038 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.71 -40.62 13.68 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.859 1.264 . . . . 10.0 111.7 176.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.11 -57.55 12.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.457 0.703 . . . . 10.0 109.58 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.45 -40.93 96.65 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.332 -0.366 . . . . 10.0 110.18 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -54.18 -50.1 67.81 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.18 0.9 . . . . 10.0 110.927 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 t -57.73 -51.88 67.74 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.241 0.616 . . . . 10.0 110.416 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -53.51 -44.51 69.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.717 0.807 . . . . 10.0 110.332 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.3 -47.52 76.31 Favored 'General case' 0 C--O 1.225 -0.221 0 O-C-N 121.61 -0.681 . . . . 10.0 111.368 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.7 t -53.24 -48.7 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 119.473 1.033 . . . . 10.0 110.268 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -52.28 -51.76 56.67 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.799 -0.563 . . . . 10.0 109.949 173.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.29 -36.33 73.16 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.07 -54.14 50.12 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 120.111 1.323 . . . . 10.0 108.655 171.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.57 -51.38 43.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 118.074 -0.965 . . . . 10.0 109.741 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.47 -48.83 80.15 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 119.641 1.109 . . . . 10.0 112.271 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.77 84.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.617 -0.677 . . . . 10.0 111.238 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.39 -46.62 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 O-C-N 121.774 -0.579 . . . . 10.0 109.614 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -144.15 92.36 6.23 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 126.903 2.081 . . . . 10.0 110.346 -168.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -65.41 114.15 2.76 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.611 1.541 . . . . 10.0 109.226 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -79.55 120.0 78.8 Favored Pre-proline 0 N--CA 1.455 -0.22 0 CA-C-O 117.8 -1.095 . . . . 10.0 110.637 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.66 -40.23 55.88 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 123.167 2.578 . . . . 10.0 113.205 173.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.65 130.91 9.2 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.872 -1.061 . . . . 10.0 108.144 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.06 -42.15 12.7 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.765 2.977 . . . . 10.0 113.273 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.75 47.67 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.491 -0.756 . . . . 10.0 111.962 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -23.38 32.22 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 10.0 112.238 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.68 -25.15 3.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.497 0.719 . . . . 10.0 112.611 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -24.55 67.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.195 0.813 . . . . 10.0 113.195 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.37 137.02 57.22 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.441 -0.787 . . . . 10.0 110.848 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -40.62 -49.22 2.99 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.179 1.391 . . . . 10.0 113.321 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.64 -44.62 96.16 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.041 -0.412 . . . . 10.0 110.223 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.8 mmm -65.33 -45.41 84.38 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.029 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -53.85 -44.59 70.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.297 0.953 . . . . 10.0 110.529 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -48.12 81.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 122.117 -0.364 . . . . 10.0 110.677 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.47 -40.01 94.89 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.515 0.326 . . . . 10.0 110.822 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.81 -51.28 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.575 1.55 . . . . 10.0 108.68 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.32 72.76 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.579 0.352 . . . . 10.0 110.684 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -53.78 -51.84 62.13 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 122.42 0.288 . . . . 10.0 110.497 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.89 88.1 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.87 0.868 . . . . 10.0 111.106 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.29 -53.72 54.93 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.228 0.467 . . . . 10.0 110.186 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -51.55 -55.56 18.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.536 0.734 . . . . 10.0 110.252 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -47.71 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.649 0.78 . . . . 10.0 110.757 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -55.01 -48.51 73.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.463 1.028 . . . . 10.0 110.521 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.76 42.21 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.205 -0.758 . . . . 10.0 111.205 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.61 -48.55 66.24 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.552 0.741 . . . . 10.0 110.822 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 mmt -62.97 -43.25 99.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.059 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.74 -43.7 76.85 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.332 0.515 . . . . 10.0 110.415 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.54 -44.54 82.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.135 0.574 . . . . 10.0 111.74 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 m -70.49 -42.43 71.38 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 117.15 11.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.134 0.974 . . . . 10.0 112.038 -169.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.56 1.05 31.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.846 -0.534 . . . . 10.0 111.633 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.9 p -153.51 157.36 39.68 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 120.97 -1.081 . . . . 10.0 109.897 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -62.78 -44.11 97.03 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.37 0.668 . . . . 10.0 110.53 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.19 81.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 118.998 -0.525 . . . . 10.0 111.06 173.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.06 -50.54 73.68 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.988 0.813 . . . . 10.0 109.341 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -49.78 -51.96 35.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.982 0.913 . . . . 10.0 111.696 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.59 -52.82 63.39 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.636 -0.665 . . . . 10.0 110.931 173.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -55.56 -62.7 1.51 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.8 0.44 . . . . 10.0 112.101 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.3 OUTLIER -64.1 -26.53 68.58 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.791 0.723 . . . . 10.0 112.364 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.25 -57.08 10.47 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.799 1.181 . . . . 10.0 110.29 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.92 69.06 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.149 -0.344 . . . . 10.0 110.763 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.13 -49.48 71.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.21 0.604 . . . . 10.0 110.419 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -55.28 -51.1 67.78 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 118.955 0.798 . . . . 10.0 110.547 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -51.4 -55.06 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.643 0.656 . . . . 10.0 109.941 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -52.85 41.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.853 1.261 . . . . 10.0 109.109 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -56.91 -52.4 65.34 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 117.757 -1.116 . . . . 10.0 111.275 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.9 -56.14 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 120.708 1.594 . . . . 10.0 109.396 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -51.23 -57.32 9.12 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.951 0.157 . . . . 10.0 110.748 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -59.0 -53.25 60.52 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.932 0.715 . . . . 10.0 112.932 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -60.54 -52.0 67.06 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.41 1.484 . . . . 10.0 110.327 -177.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 mp -80.01 -30.29 39.56 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.815 -0.612 . . . . 10.0 112.255 -173.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 0.67 -72.84 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 129.569 3.147 . . . . 10.0 116.263 -171.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -56.45 -41.4 76.43 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.91 -1.119 . . . . 10.0 112.017 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.5 -40.92 96.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 172.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.2 mmm-85 -61.1 -44.02 97.99 Favored 'General case' 0 C--O 1.227 -0.091 0 O-C-N 121.938 -0.476 . . . . 10.0 110.663 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -58.4 -51.28 70.48 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 174.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -73.66 72.13 1.44 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.484 0.714 . . . . 10.0 111.364 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 mmt-85 -65.32 55.63 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.106 1.762 . . . . 10.0 114.443 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 C--O 1.252 1.207 0 C-N-CA 125.2 1.4 . . . . 10.0 109.687 178.662 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 111.275 0.102 . . . . 10.0 111.275 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -30.01 -66.52 0.1 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.662 1.985 . . . . 10.0 113.371 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -67.93 -34.65 77.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.496 -0.775 . . . . 10.0 111.025 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.3 69.61 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 175.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.36 -54.32 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.366 0.667 . . . . 10.0 110.027 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -65.95 -46.51 77.9 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.319 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -56.72 -49.48 75.07 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.244 0.475 . . . . 10.0 110.034 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 tp -54.11 -52.9 59.55 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.295 0.638 . . . . 10.0 110.84 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.19 -54.7 43.91 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.527 0.679 . . . . 10.0 109.939 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.64 -42.07 78.27 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 125.423 1.489 . . . . 10.0 111.99 -174.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.41 -46.14 62.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.197 0.599 . . . . 10.0 111.155 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.54 -55.0 15.2 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 96.4 mmm -48.53 -39.68 24.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.418 0.687 . . . . 10.0 112.185 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.0 m -60.83 -15.98 36.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 49.2 m -52.87 -57.17 11.13 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.61 1.096 . . . . 10.0 111.878 -170.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.08 -46.54 65.23 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 119.13 0.877 . . . . 10.0 112.37 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -55.7 -46.43 77.67 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -65.39 -35.1 79.92 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.141 0.577 . . . . 10.0 111.719 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.51 -24.33 66.38 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.645 1.978 . . . . 10.0 111.687 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.43 64.57 0.85 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.928 0.871 . . . . 10.0 109.3 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.18 -68.08 2.68 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 125.378 1.466 . . . . 10.0 110.729 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -11.58 -66.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 128.85 2.86 . . . . 10.0 114.474 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -149.22 63.29 1.03 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 107.207 -1.405 . . . . 10.0 107.207 170.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.3 62.2 0.68 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.181 0.992 . . . . 10.0 112.914 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.25 -1.357 . . . . 10.0 108.457 176.829 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.157 0 N-CA-C 111.469 -0.653 . . . . 10.0 111.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.13 59.47 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 122.144 -0.621 . . . . 10.0 110.867 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -43.91 -54.23 5.49 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.172 1.389 . . . . 10.0 114.215 -169.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.24 14.53 21.95 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.732 0.413 . . . . 10.0 111.745 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.48 -64.16 2.55 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 121.172 -0.955 . . . . 10.0 111.437 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -50.73 -31.49 16.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.591 1.156 . . . . 10.0 112.035 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -36.34 -43.43 0.37 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.482 1.913 . . . . 10.0 112.342 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -44.11 -40.42 4.91 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.967 1.707 . . . . 10.0 112.315 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -99.28 21.36 12.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.106 1.363 . . . . 10.0 111.617 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -143.13 92.98 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 124.804 1.242 . . . . 10.0 107.841 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -78.34 164.15 25.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.937 1.295 . . . . 10.0 111.777 -173.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.11 39.51 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.271 1.028 . . . . 10.0 110.262 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.31 -48.2 79.54 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.686 0.794 . . . . 10.0 111.157 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.1 tp -66.32 -44.2 84.05 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -51.66 -50.26 60.73 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.837 -0.539 . . . . 10.0 109.947 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -57.12 -47.56 80.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.002 1.321 . . . . 10.0 111.133 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.7 -45.76 91.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.114 0.565 . . . . 10.0 110.276 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.46 -45.95 88.45 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.209 0.603 . . . . 10.0 110.551 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.89 -49.65 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.608 -0.682 . . . . 10.0 109.819 171.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.33 -49.79 71.3 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.047 -0.353 . . . . 10.0 110.047 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -52.75 -43.93 66.1 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 118.651 -0.69 . . . . 10.0 112.021 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.1 mt -55.27 -53.25 58.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 119.272 0.942 . . . . 10.0 109.897 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.1 t -54.41 -54.27 23.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.202 -0.904 . . . . 10.0 109.671 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -54.15 -48.18 71.15 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.606 1.094 . . . . 10.0 111.885 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.17 90.89 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.477 0.711 . . . . 10.0 110.782 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.85 -52.03 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.231 0.539 . . . . 10.0 109.893 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -146.38 98.4 4.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.727 2.411 . . . . 10.0 108.714 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -55.36 124.39 16.17 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.949 2.433 . . . . 10.0 111.157 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.1 p -85.59 122.88 73.24 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 117.79 -1.1 . . . . 10.0 109.942 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.79 -40.44 39.16 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.593 2.862 . . . . 10.0 114.697 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -157.62 142.56 12.09 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 117.628 -1.177 . . . . 10.0 108.764 -173.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.18 -45.54 9.61 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.467 2.778 . . . . 10.0 113.851 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.97 60.69 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.538 -0.726 . . . . 10.0 111.897 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.09 50.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.031 0.533 . . . . 10.0 111.621 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.0 mt -53.98 -25.21 19.72 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.678 0.672 . . . . 10.0 112.299 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -72.34 -19.24 61.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.97 132.9 55.38 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.996 0.816 . . . . 10.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -48.47 -54.01 15.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -56.03 -45.75 79.04 Favored 'General case' 0 CA--C 1.529 0.154 0 O-C-N 121.693 -0.63 . . . . 10.0 109.739 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 29.0 tpp -61.25 -43.64 98.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.898 -0.501 . . . . 10.0 111.474 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -56.03 -38.0 69.96 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.276 0.63 . . . . 10.0 110.604 173.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.28 -44.09 89.13 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.957 -0.464 . . . . 10.0 111.067 174.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.79 -48.11 82.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.994 0.815 . . . . 10.0 110.022 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -52.96 -50.61 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.914 0.886 . . . . 10.0 109.694 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.56 68.63 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.933 -0.479 . . . . 10.0 111.093 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -53.48 -49.95 66.39 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.741 0.417 . . . . 10.0 110.637 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -46.34 88.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.767 0.427 . . . . 10.0 110.847 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -56.12 -52.96 62.44 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -52.42 -56.11 17.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.372 0.669 . . . . 10.0 110.619 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -44.35 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 122.279 -0.263 . . . . 10.0 110.504 -174.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -57.65 -46.78 83.77 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.601 -0.687 . . . . 10.0 110.628 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.87 -50.89 52.72 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.09 -50.23 64.82 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.354 -0.498 . . . . 10.0 110.869 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -43.11 95.7 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 119.374 -0.346 . . . . 10.0 111.228 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.95 -44.95 67.47 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.908 0.883 . . . . 10.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.72 -32.82 41.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.0 m -70.57 -47.87 58.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.893 0.77 . . . . 10.0 111.723 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.97 125.66 25.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.202 1.001 . . . . 10.0 111.253 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.39 19.79 11.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.838 -0.539 . . . . 10.0 111.222 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -168.55 147.23 4.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 126.131 1.773 . . . . 10.0 107.954 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -53.3 -44.71 68.56 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.468 0.707 . . . . 10.0 110.348 173.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -49.85 -52.24 34.05 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.262 0.625 . . . . 10.0 111.284 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.17 -52.58 64.98 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -48.28 -50.38 30.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.651 0.78 . . . . 10.0 112.041 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.02 -55.84 29.93 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.604 -0.685 . . . . 10.0 110.936 172.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -53.94 -59.15 5.01 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -174.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.307 0.3 OUTLIER -67.09 -26.11 66.55 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.491 -0.766 . . . . 10.0 112.424 -177.146 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.63 -51.78 56.95 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 120.066 1.303 . . . . 10.0 109.705 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.49 -48.39 68.98 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.154 -0.341 . . . . 10.0 110.181 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -57.4 -46.94 82.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.094 -0.379 . . . . 10.0 110.953 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -55.47 -52.68 62.83 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.82 -0.55 . . . . 10.0 110.249 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.67 -53.12 14.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-O 120.817 0.342 . . . . 10.0 110.113 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -55.63 19.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 10.0 109.382 -177.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -58.42 -50.05 75.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.485 -0.769 . . . . 10.0 111.591 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.7 mt -47.65 -60.55 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -51.07 -53.77 30.88 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.794 0.724 . . . . 10.0 111.813 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -57.39 -53.77 54.35 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.81 -43.34 98.32 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.831 0.853 . . . . 10.0 110.922 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.2 tp -77.82 -33.81 52.24 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.819 1.247 . . . . 10.0 112.267 -169.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -38.36 -48.61 1.36 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.556 1.543 . . . . 10.0 112.982 -172.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -48.13 -36.92 14.27 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -114.21 -26.07 8.2 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.186 0.994 . . . . 10.0 112.87 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -12.55 -65.59 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 128.79 2.836 . . . . 10.0 115.752 -169.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.7 mtm-85 -46.29 -33.3 3.65 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.277 1.431 . . . . 10.0 113.218 -176.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.8 p -52.35 -32.46 38.4 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.344 1.058 . . . . 10.0 113.02 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -74.53 67.33 1.49 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.899 0.88 . . . . 10.0 109.878 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.433 1.493 . . . . 10.0 108.15 177.269 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.534 0.207 . . . . 10.0 111.087 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -50.88 -48.98 60.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.305 1.042 . . . . 10.0 112.009 -172.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.44 -39.18 86.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.176 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -51.25 64.75 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.76 -54.48 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.441 0.696 . . . . 10.0 110.007 175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.12 -47.69 73.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.195 -0.431 . . . . 10.0 111.26 -173.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -56.36 -48.32 77.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.39 0.541 . . . . 10.0 110.223 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.16 -50.76 70.26 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.176 0.99 . . . . 10.0 110.853 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.33 -53.54 56.45 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.502 0.668 . . . . 10.0 110.209 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.35 -43.59 79.26 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.616 1.566 . . . . 10.0 110.948 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.3 tp -45.87 -53.06 10.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.923 0.889 . . . . 10.0 110.703 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.48 -52.09 43.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.3 mmt -45.81 -43.15 13.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.069 0.548 . . . . 10.0 111.769 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 56.5 p -69.4 -10.64 58.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 28.2 m -50.83 -46.65 60.07 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.732 1.151 . . . . 10.0 111.962 -173.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.43 -45.46 80.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.751 0.705 . . . . 10.0 112.316 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.55 -41.28 98.8 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.691 0.796 . . . . 10.0 110.776 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.12 -47.38 84.86 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.414 0.686 . . . . 10.0 110.509 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.22 -53.94 52.42 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.53 1.532 . . . . 10.0 110.061 -175.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -78.18 46.5 0.61 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.452 0.908 . . . . 10.0 113.452 -174.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.7 -51.08 2.25 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.737 1.161 . . . . 10.0 115.371 169.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -31.86 -48.75 0.16 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.374 2.269 . . . . 10.0 115.976 -169.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -65.35 -24.81 67.34 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.225 0.824 . . . . 10.0 113.225 -175.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.59 64.37 1.66 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.556 0.743 . . . . 10.0 111.122 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.355 -1.307 . . . . 10.0 108.663 178.003 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.013 0 N-CA-C 110.106 -1.198 . . . . 10.0 110.106 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -85.3 -61.34 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 117.694 0.747 . . . . 10.0 110.449 -174.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -74.82 -48.42 25.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.994 0.902 . . . . 10.0 110.361 -170.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -137.77 156.62 47.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.607 1.963 . . . . 10.0 107.64 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.93 -39.6 40.66 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.434 0.561 . . . . 10.0 111.949 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -79.96 -9.96 59.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.773 0.829 . . . . 10.0 113.21 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -49.35 -42.66 42.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.808 0.843 . . . . 10.0 111.975 -173.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.54 -35.79 4.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.223 1.409 . . . . 10.0 113.335 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -70.47 -61.93 1.58 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 122.024 0.916 . . . . 10.0 110.137 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.24 85.91 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.278 -169.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -71.32 162.33 29.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.747 -1.115 . . . . 10.0 111.767 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -48.26 -42.06 29.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.038 1.335 . . . . 10.0 112.782 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.98 -44.94 96.63 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.97 -0.457 . . . . 10.0 111.086 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.74 -45.68 81.69 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -50.67 -47.14 58.87 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.385 0.539 . . . . 10.0 110.471 173.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -57.98 -50.06 74.69 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.102 0.961 . . . . 10.0 110.923 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.32 -38.08 89.74 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.748 -0.595 . . . . 10.0 110.961 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.37 -48.2 76.39 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.769 -1.207 . . . . 10.0 110.722 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.5 t -51.28 -48.63 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.463 -0.773 . . . . 10.0 109.86 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -53.31 -46.97 69.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.803 -0.617 . . . . 10.0 111.231 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.26 -46.38 83.1 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 118.495 0.589 . . . . 10.0 111.325 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.0 mt -53.44 -52.34 59.76 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.795 0.725 . . . . 10.0 109.699 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.4 t -52.4 -51.65 31.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.25 -0.881 . . . . 10.0 109.354 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -58.33 -48.17 81.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.565 1.075 . . . . 10.0 111.482 -177.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.14 76.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.852 0.861 . . . . 10.0 111.324 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.6 mt -81.36 -41.49 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.337 0.655 . . . . 10.0 111.268 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -155.73 100.18 2.21 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 126.487 1.915 . . . . 10.0 109.543 -168.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -59.87 116.31 3.22 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.739 1.626 . . . . 10.0 109.829 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 m -74.15 126.59 89.02 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-O 118.975 -0.536 . . . . 10.0 110.483 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -51.35 -52.72 8.45 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 124.149 3.232 . . . . 10.0 114.185 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -161.8 146.11 9.8 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 107.545 -1.28 . . . . 10.0 107.545 -171.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -43.47 -46.97 9.58 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.257 2.638 . . . . 10.0 113.617 174.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.8 -35.09 63.5 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.689 -0.632 . . . . 10.0 111.851 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.11 61.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.009 0.524 . . . . 10.0 111.692 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.62 -25.65 27.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.379 0.536 . . . . 10.0 111.81 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -69.56 -21.57 63.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.32 127.27 32.04 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.138 -0.976 . . . . 10.0 109.777 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -43.84 -46.16 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.89 -38.04 75.09 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.152 -0.342 . . . . 10.0 110.511 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.1 tpp -76.83 -47.24 22.03 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 118.948 -0.549 . . . . 10.0 109.658 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -48.69 -45.04 38.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.283 0.947 . . . . 10.0 111.649 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -57.44 -44.23 84.56 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 122.25 -0.281 . . . . 10.0 111.083 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.41 -41.55 80.24 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.897 -0.502 . . . . 10.0 110.664 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.55 -50.36 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.4 -50.99 70.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.019 0.528 . . . . 10.0 110.864 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -51.84 -50.88 60.02 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.013 0.369 . . . . 10.0 111.061 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.36 90.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.059 -0.401 . . . . 10.0 110.544 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -55.21 -52.22 64.07 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.067 0.547 . . . . 10.0 110.395 174.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -54.04 -54.78 34.48 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.257 0.623 . . . . 10.0 110.935 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -44.64 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.128 -0.358 . . . . 10.0 110.321 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.87 -45.47 82.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.405 -0.809 . . . . 10.0 111.294 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.93 -53.0 39.22 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.716 -0.953 . . . . 10.0 110.716 173.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -50.97 -50.46 58.08 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.027 0.531 . . . . 10.0 110.507 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.1 mmt -57.41 -46.86 83.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 119.598 -0.239 . . . . 10.0 111.447 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.53 -48.63 71.73 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.811 0.445 . . . . 10.0 110.585 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.06 -27.21 61.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -73.81 -42.34 61.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.746 0.703 . . . . 10.0 112.252 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.51 115.91 10.23 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -65.17 -21.48 66.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.967 0.907 . . . . 10.0 112.76 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -154.59 150.06 27.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.327 -0.858 . . . . 10.0 109.394 -173.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -47.19 -46.2 23.68 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.634 1.174 . . . . 10.0 111.28 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.31 -47.6 65.87 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.478 0.711 . . . . 10.0 110.832 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -64.33 -48.37 75.85 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -50.26 -48.69 54.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.635 . . . . 10.0 111.596 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.35 -52.68 64.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.78 -0.575 . . . . 10.0 110.823 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -51.75 -63.67 1.06 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.724 0.41 . . . . 10.0 111.945 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.341 0.4 OUTLIER -64.06 -28.64 69.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.457 -0.777 . . . . 10.0 112.972 -175.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 mt -65.99 -53.99 31.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.983 1.265 . . . . 10.0 110.913 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.43 74.0 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.24 -45.43 91.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 10.0 110.957 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -55.75 -51.17 68.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.93 0.786 . . . . 10.0 110.127 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.1 mt -52.49 -53.19 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.843 0.354 . . . . 10.0 110.491 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -53.28 41.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.828 1.251 . . . . 10.0 109.501 -177.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -56.79 -52.56 64.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.33 0.652 . . . . 10.0 111.395 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.4 mt -49.85 -53.21 11.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 118.448 0.567 . . . . 10.0 109.855 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -59.79 -49.51 77.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.22 0.464 . . . . 10.0 111.52 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.88 -47.88 76.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.706 0.685 . . . . 10.0 111.926 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -72.41 -55.77 6.52 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.342 0.657 . . . . 10.0 110.707 -177.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.4 tp -80.49 -20.25 44.1 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.575 1.55 . . . . 10.0 113.546 -169.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 49.53 35.57 8.64 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.54 1.536 . . . . 10.0 114.252 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.16 67.47 3.99 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.471 -0.768 . . . . 10.0 110.18 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -76.2 84.18 3.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.755 1.222 . . . . 10.0 110.012 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -110.39 -141.59 0.38 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 171.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -52.41 -29.67 25.47 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.487 -0.758 . . . . 10.0 110.46 169.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 p -45.96 -20.92 0.1 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.78 2.432 . . . . 10.0 114.53 170.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -42.94 53.39 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.539 1.063 . . . . 10.0 109.906 169.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 117.032 -1.461 . . . . 10.0 109.084 172.829 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.447 -0.205 . . . . 10.0 110.447 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.06 -44.3 67.35 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 123.373 0.669 . . . . 10.0 111.376 -173.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -54.19 -47.61 71.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.478 0.711 . . . . 10.0 111.158 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -60.67 -59.07 5.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.29 -53.56 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 122.908 0.483 . . . . 10.0 110.151 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -70.58 -46.35 63.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.504 -0.76 . . . . 10.0 111.34 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.64 -46.79 88.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.334 0.97 . . . . 10.0 109.952 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.66 -54.3 39.74 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.793 0.837 . . . . 10.0 110.773 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.85 -52.95 63.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.243 0.544 . . . . 10.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.69 -42.38 88.41 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.509 1.124 . . . . 10.0 111.069 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.88 -53.15 53.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.298 0.639 . . . . 10.0 110.582 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.73 -50.43 72.46 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.7 mtt -51.13 -40.97 59.71 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.987 -0.445 . . . . 10.0 111.487 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -70.24 -9.66 56.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.519 1.128 . . . . 10.0 113.834 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 31.9 m -52.58 -43.77 65.49 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 120.097 1.317 . . . . 10.0 111.24 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.05 -45.61 79.2 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.198 -0.314 . . . . 10.0 111.349 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.04 -49.22 76.87 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -56.16 -46.2 79.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.619 0.368 . . . . 10.0 110.974 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.07 -50.73 72.55 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.666 1.186 . . . . 10.0 110.015 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -62.05 -28.24 69.46 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.506 0.723 . . . . 10.0 111.785 177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -43.86 -29.99 1.54 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.833 1.682 . . . . 10.0 114.312 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.43 61.47 0.34 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.801 1.24 . . . . 10.0 110.627 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -74.85 71.87 2.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.677 1.191 . . . . 10.0 109.589 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.19 63.13 0.7 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.926 0.891 . . . . 10.0 111.283 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.329 -1.319 . . . . 10.0 110.372 177.801 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.297 0 N-CA-C 112.213 -0.355 . . . . 10.0 112.213 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.9 t 52.58 -71.86 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 126.863 2.065 . . . . 10.0 112.5 -169.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -153.45 -69.43 0.15 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.292 1.037 . . . . 10.0 109.848 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -83.37 11.09 7.28 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.55 -70.98 2.37 Favored Glycine 0 CA--C 1.525 0.68 0 O-C-N 120.142 -1.599 . . . . 10.0 110.045 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -53.97 -30.25 46.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.612 1.165 . . . . 10.0 111.454 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -42.83 -37.02 1.66 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.175 1.39 . . . . 10.0 112.649 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.17 -34.14 68.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.195 0.598 . . . . 10.0 112.095 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -74.95 -50.45 16.69 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.836 -0.801 . . . . 10.0 108.836 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -84.02 85.83 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.827 0.822 . . . . 10.0 110.289 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.0 p -76.15 162.12 28.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.628 1.571 . . . . 10.0 111.542 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -50.4 -38.58 43.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.147 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.41 -47.3 86.67 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.264 0.938 . . . . 10.0 110.492 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.78 -45.64 88.84 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.3 -47.04 62.7 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.493 0.588 . . . . 10.0 110.821 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -61.75 -46.51 89.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.077 1.351 . . . . 10.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.6 -34.4 76.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.539 -0.726 . . . . 10.0 110.983 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.27 -46.36 80.79 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 120.984 -1.072 . . . . 10.0 110.55 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -51.33 -47.6 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.09 -50.82 63.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 119.245 -0.407 . . . . 10.0 110.336 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmpm? -56.89 -40.31 76.0 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.868 0.758 . . . . 10.0 112.162 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.1 mt -54.05 -54.14 43.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 119.274 0.943 . . . . 10.0 109.262 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -53.19 -54.79 15.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 118.672 -0.68 . . . . 10.0 109.875 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -54.27 -49.39 69.68 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.024 0.829 . . . . 10.0 111.893 -177.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.81 0.444 . . . . 10.0 111.446 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.17 -32.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.457 0.703 . . . . 10.0 110.971 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -156.09 91.16 2.68 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.265 1.826 . . . . 10.0 108.816 -168.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.29 99.19 0.29 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.822 2.348 . . . . 10.0 110.651 -174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.8 m -93.92 133.59 27.45 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 10.0 109.693 -170.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.15 -49.68 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.439 2.759 . . . . 10.0 113.65 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.78 141.97 19.72 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 117.749 -1.119 . . . . 10.0 109.342 -169.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -42.1 -44.03 7.39 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.512 2.808 . . . . 10.0 113.735 170.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -36.98 59.63 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.633 -0.667 . . . . 10.0 112.188 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -25.06 62.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.165 0.586 . . . . 10.0 111.454 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.59 -15.63 29.91 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.69 -14.91 60.37 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.47 147.88 51.8 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 0.933 . . . . 10.0 111.181 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -60.82 -48.7 80.6 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.642 0.777 . . . . 10.0 112.584 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -55.5 -47.26 76.47 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.403 -0.962 . . . . 10.0 108.403 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.9 mmm -64.03 -48.86 74.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.669 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.58 -44.05 65.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.34 0.973 . . . . 10.0 110.551 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -61.67 -49.52 76.19 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.873 -0.517 . . . . 10.0 111.115 175.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.87 -36.92 84.87 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.584 -0.697 . . . . 10.0 111.092 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.83 -50.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 10.0 108.646 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.1 -50.35 67.04 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.318 0.508 . . . . 10.0 110.51 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.08 -51.51 66.15 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.263 0.225 . . . . 10.0 111.054 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.45 83.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.575 0.75 . . . . 10.0 111.2 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -55.3 -54.14 47.31 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.281 0.632 . . . . 10.0 110.235 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -51.8 -56.96 10.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.058 0.543 . . . . 10.0 110.344 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -45.48 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.574 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -56.73 -45.67 81.8 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.419 -0.801 . . . . 10.0 110.896 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.31 -51.06 53.64 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 10.0 110.974 173.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -52.79 -49.88 64.71 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.422 -0.458 . . . . 10.0 110.643 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.8 mmt -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 119.502 -0.285 . . . . 10.0 111.347 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.42 -47.83 66.09 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.879 0.871 . . . . 10.0 110.067 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -69.13 -42.9 75.41 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -67.72 -38.32 83.41 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.43 109.27 6.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -169.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -48.35 -52.2 22.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.749 1.22 . . . . 10.0 112.498 170.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.1 t -121.57 163.11 19.44 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.438 1.495 . . . . 10.0 110.78 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.92 -37.71 69.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 10.0 109.686 169.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -54.93 -52.13 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.386 0.612 . . . . 10.0 109.937 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.81 -50.08 74.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.698 0.799 . . . . 10.0 108.906 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -51.13 -52.31 45.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.783 0.833 . . . . 10.0 111.63 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -55.95 -52.14 65.19 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.978 -0.452 . . . . 10.0 110.653 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -55.63 -62.35 1.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.354 0.3 OUTLIER -64.91 -27.83 69.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.765 0.711 . . . . 10.0 112.494 -174.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.04 -54.37 31.31 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.843 1.201 . . . . 10.0 110.712 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.63 74.68 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.084 -0.385 . . . . 10.0 110.649 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.67 -50.49 70.11 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 123.415 0.686 . . . . 10.0 110.328 174.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -54.71 -50.62 67.87 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.71 -0.619 . . . . 10.0 110.412 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.84 -55.02 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -54.7 15.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.629 1.172 . . . . 10.0 109.391 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.27 -48.22 81.14 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.262 0.625 . . . . 10.0 111.552 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.61 -48.77 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 119.923 1.238 . . . . 10.0 110.225 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -56.78 -48.36 78.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.826 -0.546 . . . . 10.0 111.043 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -64.95 -51.88 59.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.991 0.516 . . . . 10.0 112.115 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -79.48 -59.72 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 124.963 1.305 . . . . 10.0 111.088 -172.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -80.42 -51.46 8.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.393 1.077 . . . . 10.0 111.283 -169.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -78.98 37.06 0.29 Allowed 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 -170.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -75.98 -39.86 54.99 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.818 1.247 . . . . 10.0 109.131 169.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -74.05 44.27 0.18 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.856 1.663 . . . . 10.0 110.63 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -40.45 -58.72 1.49 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.14 1.776 . . . . 10.0 115.29 -168.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -67.21 -24.08 65.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.6 m -76.55 72.89 3.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.46 0.704 . . . . 10.0 111.196 -172.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -69.41 60.19 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.508 1.523 . . . . 10.0 111.486 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 116.639 -1.648 . . . . 10.0 111.169 -176.851 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -53.92 -47.71 70.93 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.512 0.596 . . . . 10.0 112.357 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -54.7 -45.13 73.94 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.894 0.477 . . . . 10.0 110.304 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.45 67.26 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.23 -0.655 . . . . 10.0 109.23 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.03 -54.48 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.766 0.826 . . . . 10.0 110.155 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -66.59 -51.45 56.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 119.39 -0.338 . . . . 10.0 110.76 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.92 -47.38 77.6 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.416 0.553 . . . . 10.0 110.412 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 42.5 tp -54.73 -50.72 67.67 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.076 0.95 . . . . 10.0 110.564 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.85 -54.71 43.04 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.21 0.529 . . . . 10.0 110.615 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.96 -38.3 90.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.547 1.139 . . . . 10.0 112.306 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.49 -54.78 10.6 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.705 0.684 . . . . 10.0 110.552 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -54.21 47.63 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -177.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.2 mtt -47.76 -46.15 29.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.69 0.796 . . . . 10.0 111.436 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 55.4 p -71.27 -9.69 58.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.817 1.043 . . . . 10.0 113.817 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.9 m -49.27 -35.98 19.34 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.287 0.847 . . . . 10.0 113.287 -169.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.78 -48.07 80.73 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.2 0.909 . . . . 10.0 111.918 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -65.33 -40.5 93.78 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 122.808 0.443 . . . . 10.0 110.351 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -54.41 -54.47 40.18 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.482 0.658 . . . . 10.0 109.591 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.5 -51.85 67.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.894 1.678 . . . . 10.0 109.855 -176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -64.85 -35.47 81.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.843 -0.598 . . . . 10.0 111.845 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.84 -67.24 0.02 OUTLIER Glycine 0 CA--C 1.525 0.717 0 CA-C-N 118.678 0.672 . . . . 10.0 113.679 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.97 66.85 5.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 117.756 0.778 . . . . 10.0 112.219 -169.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -62.57 64.53 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.429 2.292 . . . . 10.0 115.06 -171.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.94 64.13 2.39 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.792 -1.192 . . . . 10.0 110.185 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.218 -1.372 . . . . 10.0 110.812 179.057 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 107.532 -1.284 . . . . 10.0 107.532 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.9 59.07 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 118.395 0.543 . . . . 10.0 112.158 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -80.73 -9.73 59.78 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.857 1.263 . . . . 10.0 114.158 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -39.77 -49.99 2.35 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.798 1.239 . . . . 10.0 114.299 -169.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -55.76 -22.09 22.28 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 -174.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -67.18 -28.53 68.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.509 0.595 . . . . 10.0 111.992 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.53 100.85 4.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.332 0.586 . . . . 10.0 111.588 -169.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -85.89 165.05 17.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.507 1.523 . . . . 10.0 111.157 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -45.86 -42.38 12.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.657 1.983 . . . . 10.0 112.095 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.43 -46.43 90.14 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.76 -0.588 . . . . 10.0 110.77 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.19 -42.14 89.27 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -53.13 -46.45 68.78 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.092 0.405 . . . . 10.0 110.275 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.0 m -59.53 -49.13 78.98 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.156 0.982 . . . . 10.0 110.654 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -61.94 -40.39 95.38 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.826 -0.546 . . . . 10.0 110.759 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.03 -45.62 91.4 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.587 -0.696 . . . . 10.0 110.932 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.5 t -52.38 -47.0 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.442 -0.786 . . . . 10.0 109.773 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -56.25 -50.01 72.55 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.663 -0.648 . . . . 10.0 110.724 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -49.87 -47.07 52.11 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 118.727 -0.654 . . . . 10.0 111.152 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -52.98 -55.92 19.95 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.932 0.787 . . . . 10.0 109.988 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -53.24 -55.51 12.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.606 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -65.26 -36.12 83.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.084 1.311 . . . . 10.0 112.797 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.92 84.97 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.658 -0.651 . . . . 10.0 111.13 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.53 -54.22 17.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -133.93 93.25 20.68 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 127.761 2.424 . . . . 10.0 109.849 -169.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.5 81.43 0.42 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 123.443 2.762 . . . . 10.0 109.914 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.4 m -59.87 124.9 78.84 Favored Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 125.272 1.429 . . . . 10.0 111.037 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.94 -50.66 11.34 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.69 3.593 . . . . 10.0 114.5 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -143.43 134.8 12.71 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-O 117.819 -1.086 . . . . 10.0 109.13 -173.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -42.21 -44.44 7.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.804 3.003 . . . . 10.0 113.86 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.767 -0.583 . . . . 10.0 112.052 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.63 58.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.191 0.596 . . . . 10.0 111.559 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.9 mt -57.19 -22.04 37.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.186 0.594 . . . . 10.0 112.338 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -62.54 -28.1 69.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.478 0.581 . . . . 10.0 112.261 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.08 137.21 57.54 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.901 0.773 . . . . 10.0 110.55 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -50.06 -40.43 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.002 0.921 . . . . 10.0 112.62 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -53.55 -49.62 67.25 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 10.0 109.723 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.9 mmm -69.51 -44.06 71.82 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 118.908 -0.568 . . . . 10.0 109.812 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -49.19 -44.4 43.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.671 0.669 . . . . 10.0 110.624 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -59.95 -46.14 90.36 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.148 -0.345 . . . . 10.0 111.317 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.68 -40.53 95.56 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.736 -0.603 . . . . 10.0 110.911 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.15 -52.22 61.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 124.426 1.09 . . . . 10.0 108.853 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.75 -49.01 74.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.169 0.588 . . . . 10.0 110.928 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -52.0 -54.5 29.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.91 0.484 . . . . 10.0 110.273 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.32 86.04 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.225 0.61 . . . . 10.0 111.115 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.28 -53.99 50.69 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.076 0.398 . . . . 10.0 110.395 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -52.3 -55.59 20.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.788 0.835 . . . . 10.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.14 -51.6 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.142 0.977 . . . . 10.0 110.405 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -55.45 -48.95 73.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.115 0.87 . . . . 10.0 111.168 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.82 -54.23 32.05 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.58 -50.22 54.34 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.456 0.703 . . . . 10.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.8 mmt -59.24 -45.5 90.99 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 119.083 -0.484 . . . . 10.0 111.374 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.27 -51.89 60.81 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.357 0.526 . . . . 10.0 110.137 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.73 -32.75 72.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 m -69.86 -42.4 73.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.769 -0.582 . . . . 10.0 112.029 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.26 113.23 5.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.106 0.962 . . . . 10.0 113.023 -169.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -61.49 -23.03 65.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.07 0.948 . . . . 10.0 113.041 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 m -154.55 151.3 28.71 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.16 -0.962 . . . . 10.0 109.884 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -53.73 -51.01 64.68 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.705 0.764 . . . . 10.0 111.402 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.12 -44.68 21.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.042 0.537 . . . . 10.0 111.927 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.24 -48.32 76.26 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -49.34 -48.42 46.61 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.556 0.742 . . . . 10.0 111.317 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -60.52 -52.58 64.57 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.598 -0.689 . . . . 10.0 111.505 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -52.7 -64.36 0.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.165 0.586 . . . . 10.0 111.544 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.3 OUTLIER -63.0 -28.24 69.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.792 0.724 . . . . 10.0 112.824 -175.282 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.54 -58.18 7.81 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.716 1.144 . . . . 10.0 110.697 170.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.49 -44.46 76.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.912 -0.492 . . . . 10.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -55.95 -50.84 69.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.513 0.725 . . . . 10.0 110.231 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -55.57 -49.77 71.84 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.384 0.538 . . . . 10.0 110.696 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.2 mt -51.88 -51.16 30.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.429 ' CE1' HD23 ' B' ' 95' ' ' LEU . 5.4 t80 -56.08 -50.33 71.32 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 -177.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -53.89 -49.49 68.44 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.963 -0.541 . . . . 10.0 111.184 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -51.14 -56.32 5.21 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 118.74 0.7 . . . . 10.0 109.79 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -65.43 -41.15 93.84 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 118.78 -1.168 . . . . 10.0 111.893 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -57.57 -47.8 81.1 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 120.488 -1.382 . . . . 10.0 110.636 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 CA--C 1.537 0.456 0 C-N-CA 124.232 1.013 . . . . 10.0 111.094 179.751 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 113.343 0.868 . . . . 10.0 113.343 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.0 -45.61 82.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.216 0.606 . . . . 10.0 110.276 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.56 -44.86 89.42 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.6 mm -51.75 -57.65 3.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.657 0.742 . . . . 10.0 109.216 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpp? -66.75 -38.8 87.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.277 -0.874 . . . . 10.0 111.274 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -59.82 -54.85 41.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.613 1.097 . . . . 10.0 110.864 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 73' ' ' TYR . 26.6 tp -58.21 -43.34 87.61 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.234 -0.291 . . . . 10.0 110.405 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.15 -55.98 23.32 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.293 0.568 . . . . 10.0 110.97 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.1 tp -58.75 -38.06 77.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 125.195 1.398 . . . . 10.0 111.514 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 56.1 tp -45.51 -49.39 13.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.544 0.738 . . . . 10.0 110.695 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -68.15 -52.16 37.81 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.4 mtt -56.83 -36.29 69.81 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.493 0.717 . . . . 10.0 112.798 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 96.3 p -55.03 -46.35 75.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.776 0.83 . . . . 10.0 112.156 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -24.54 -69.5 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.51 2.324 . . . . 10.0 115.595 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.22 -38.87 71.61 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.787 -0.57 . . . . 10.0 111.852 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 . . . . . 0 N--CA 1.454 -0.24 0 C-N-CA 123.968 0.907 . . . . 10.0 108.82 179.089 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 112.087 0.402 . . . . 10.0 112.087 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -74.58 0.54 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -56.18 -23.11 33.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.512 1.525 . . . . 10.0 112.131 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.21 -33.18 5.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.165 1.386 . . . . 10.0 111.902 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.88 -28.46 36.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.802 0.841 . . . . 10.0 112.187 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -85.43 -57.42 3.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.806 0.842 . . . . 10.0 109.706 172.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.19 87.88 2.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.405 -169.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.9 p -80.89 166.41 20.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.462 1.505 . . . . 10.0 111.925 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -47.13 -43.91 21.12 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.852 2.061 . . . . 10.0 111.644 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -53.75 -54.72 34.2 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.347 0.659 . . . . 10.0 110.793 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.26 -41.79 96.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtt180 -53.79 -51.12 64.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.251 0.478 . . . . 10.0 110.309 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.5 t -60.09 -49.21 78.56 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.657 0.783 . . . . 10.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -61.05 -41.44 96.61 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.759 -0.588 . . . . 10.0 110.072 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.66 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.995 -1.066 . . . . 10.0 111.221 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 t -49.02 -50.05 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.806 0.73 . . . . 10.0 109.668 173.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -52.72 -51.11 61.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.017 -0.516 . . . . 10.0 110.924 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -56.76 -37.81 71.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.272 0.942 . . . . 10.0 112.355 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.08 -53.68 55.47 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 119.648 1.113 . . . . 10.0 109.506 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.2 t -52.08 -52.47 23.65 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-O 118.534 -0.746 . . . . 10.0 109.973 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -57.39 -50.96 71.31 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.163 0.892 . . . . 10.0 111.33 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.88 81.95 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.802 -0.561 . . . . 10.0 111.648 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.56 -41.76 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 122.896 0.478 . . . . 10.0 110.687 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -151.92 90.42 3.88 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 125.999 1.719 . . . . 10.0 110.049 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.05 121.29 9.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.435 2.09 . . . . 10.0 110.695 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.8 p -81.55 124.11 80.3 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 117.675 -1.155 . . . . 10.0 110.416 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.85 -39.03 31.45 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 123.516 2.811 . . . . 10.0 113.529 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -146.46 136.04 11.65 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -45.79 -42.37 19.65 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.266 2.644 . . . . 10.0 112.907 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.31 -24.84 20.74 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.678 -0.639 . . . . 10.0 112.641 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.12 67.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.814 -0.554 . . . . 10.0 112.221 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.0 mt -47.61 -38.0 13.71 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.117 0.967 . . . . 10.0 112.931 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -77.48 -5.86 51.43 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.91 143.8 57.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.315 0.961 . . . . 10.0 111.552 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -40.99 -43.25 2.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.756 1.622 . . . . 10.0 113.479 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -70.57 -58.0 4.15 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -52.99 -42.1 65.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.381 1.072 . . . . 10.0 112.103 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -46.0 -37.0 6.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.862 0.865 . . . . 10.0 112.579 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -65.06 -49.11 71.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.325 0.583 . . . . 10.0 110.516 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.92 -41.6 95.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.179 0.592 . . . . 10.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.8 -51.73 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.251 0.621 . . . . 10.0 109.523 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.88 75.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.805 0.442 . . . . 10.0 110.778 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -54.91 -51.28 66.53 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.71 0.232 . . . . 10.0 110.622 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.21 83.11 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.986 0.515 . . . . 10.0 111.052 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -54.72 -54.42 42.15 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -53.31 -54.18 40.22 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.408 0.683 . . . . 10.0 110.471 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -46.36 96.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 122.8 0.44 . . . . 10.0 110.44 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -56.47 -46.32 80.48 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.761 0.709 . . . . 10.0 110.609 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.84 -53.7 35.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.096 -0.802 . . . . 10.0 111.096 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -50.59 -50.67 53.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.91 0.884 . . . . 10.0 110.533 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.44 -46.15 91.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.169 -0.443 . . . . 10.0 111.085 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -53.42 -50.49 65.09 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.429 0.559 . . . . 10.0 110.211 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.72 -41.7 95.79 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.395 0.278 . . . . 10.0 111.624 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 m -66.22 -35.47 80.53 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.59 108.18 4.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -169.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -54.97 -34.79 63.63 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.369 1.067 . . . . 10.0 112.456 169.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -141.85 162.5 35.32 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.488 1.115 . . . . 10.0 109.918 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -57.61 -44.5 85.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.103 0.561 . . . . 10.0 110.125 169.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -50.59 -53.09 33.33 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.897 0.479 . . . . 10.0 110.513 173.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -55.84 -53.45 56.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.13 -50.97 26.8 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.565 1.146 . . . . 10.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -60.5 -52.01 67.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.852 -0.53 . . . . 10.0 111.07 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -53.23 -62.27 1.76 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.671 0.388 . . . . 10.0 111.971 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -65.31 -29.02 69.73 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.699 -0.667 . . . . 10.0 112.761 -175.586 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.3 mt -66.05 -53.98 31.6 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.94 1.246 . . . . 10.0 110.991 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.77 78.07 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.915 -0.491 . . . . 10.0 109.995 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.65 -44.25 90.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.213 0.605 . . . . 10.0 110.931 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -56.42 -52.89 62.96 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.83 0.741 . . . . 10.0 110.49 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.4 mt -51.46 -54.25 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.133 0.492 . . . . 10.0 110.111 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -51.48 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.769 1.228 . . . . 10.0 109.271 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mmpp? -52.25 -51.89 55.75 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.802 -1.094 . . . . 10.0 111.087 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -54.42 -56.84 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 120.653 1.569 . . . . 10.0 109.548 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.55 -27.08 62.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 10.0 112.685 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -79.4 -69.85 0.55 Allowed 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.333 -0.854 . . . . 10.0 110.207 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 127.209 2.204 . . . . 10.0 112.455 -173.406 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -53.3 57.7 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.799 0.84 . . . . 10.0 108.851 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -56.08 -49.95 72.38 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 125.455 1.502 . . . . 10.0 109.291 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.52 -51.2 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.67 -48.59 68.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.295 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -60.93 -41.52 96.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.489 1.04 . . . . 10.0 110.863 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.19 -54.03 50.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.184 0.593 . . . . 10.0 110.389 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.04 -52.57 65.17 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.449 0.642 . . . . 10.0 110.124 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.12 -43.86 91.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.407 1.483 . . . . 10.0 111.215 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.1 tp -49.62 -55.18 14.55 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.339 0.656 . . . . 10.0 110.96 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.5 -52.7 63.43 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.0 mtt -49.51 -39.31 33.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.705 0.802 . . . . 10.0 112.327 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -68.64 -11.32 59.95 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.308 -0.87 . . . . 10.0 112.888 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 20.8 m -60.21 -48.31 82.26 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.764 1.166 . . . . 10.0 110.16 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.53 -43.03 99.81 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.715 -0.616 . . . . 10.0 110.33 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 CA-C-N 118.024 0.375 . . . . 10.0 110.689 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.11 -72.99 0.9 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 120.97 -1.081 . . . . 10.0 110.999 -171.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -50.19 -36.43 30.5 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.166 1.386 . . . . 10.0 112.207 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -35.5 -43.43 0.26 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.794 2.037 . . . . 10.0 111.844 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.41 -36.59 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.065 0.946 . . . . 10.0 112.993 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.71 -44.79 55.45 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.554 0.692 . . . . 10.0 109.496 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.16 87.87 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 121.794 0.807 . . . . 10.0 109.714 -173.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.6 p -69.59 166.0 19.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.651 1.18 . . . . 10.0 112.198 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -50.86 -39.87 54.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.531 -1.213 . . . . 10.0 111.266 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.94 -51.03 71.33 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.507 0.594 . . . . 10.0 110.288 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.52 -44.53 94.03 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 119.185 -0.436 . . . . 10.0 110.206 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -49.84 -53.48 25.3 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.861 0.755 . . . . 10.0 110.682 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 m -58.35 -44.41 88.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.425 1.49 . . . . 10.0 110.712 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.01 -44.7 91.8 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.867 -0.521 . . . . 10.0 110.754 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.84 -45.17 93.86 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.31 -0.869 . . . . 10.0 110.96 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 t -49.68 -48.43 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.679 0.792 . . . . 10.0 109.847 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -56.04 -51.05 69.19 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.609 -0.682 . . . . 10.0 110.966 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -50.84 -43.94 59.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.743 0.701 . . . . 10.0 111.871 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.25 -52.12 66.6 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.028 0.831 . . . . 10.0 110.671 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -53.23 -48.84 54.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.747 0.703 . . . . 10.0 110.262 176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.4 -44.52 89.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.483 0.583 . . . . 10.0 111.311 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.07 99.73 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.639 -0.663 . . . . 10.0 111.686 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.42 -39.24 83.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.638 0.775 . . . . 10.0 110.482 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -165.81 94.42 0.82 Allowed Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 10.0 110.123 -168.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.48 105.5 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.296 2.664 . . . . 10.0 111.037 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 m -76.24 122.52 86.94 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.792 1.237 . . . . 10.0 110.838 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -48.37 -56.94 2.67 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.345 3.363 . . . . 10.0 113.702 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -134.3 126.98 18.69 Favored Pre-proline 0 N--CA 1.45 -0.438 0 C-N-CA 124.652 1.181 . . . . 10.0 108.251 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -42.34 -42.54 7.79 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 124.334 3.356 . . . . 10.0 114.015 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.28 -35.36 12.02 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.922 0.712 . . . . 10.0 112.922 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.43 49.51 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.645 0.778 . . . . 10.0 112.313 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -54.28 -24.81 20.34 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.447 0.699 . . . . 10.0 111.914 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.37 -12.8 61.83 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.62 143.48 28.41 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.6 1.091 . . . . 10.0 112.134 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -51.01 -39.5 55.94 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.832 1.653 . . . . 10.0 112.637 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.99 -57.41 13.22 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mmm -60.01 -38.48 82.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.784 -0.572 . . . . 10.0 111.108 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -49.37 -35.92 20.19 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.664 0.785 . . . . 10.0 111.853 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.86 -45.16 79.01 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.806 -0.559 . . . . 10.0 110.997 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.24 -46.05 88.71 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.797 -0.565 . . . . 10.0 109.644 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.76 -50.55 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.926 0.89 . . . . 10.0 109.902 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.24 74.31 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.225 0.61 . . . . 10.0 111.07 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.0 -51.52 56.79 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.768 0.427 . . . . 10.0 110.289 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.91 84.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.169 0.587 . . . . 10.0 111.832 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -55.19 -52.34 63.66 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.502 0.721 . . . . 10.0 110.234 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.18 -59.24 4.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.824 0.85 . . . . 10.0 110.171 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -46.74 93.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.231 -172.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -57.76 -42.21 83.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.357 -0.839 . . . . 10.0 110.435 173.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.96 -55.64 20.18 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.391 -1.084 . . . . 10.0 110.391 171.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.27 -47.74 62.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.323 0.561 . . . . 10.0 111.313 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.0 mmt -60.94 -47.83 84.64 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 122.127 -0.358 . . . . 10.0 111.607 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.13 -39.92 76.1 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.983 1.313 . . . . 10.0 110.749 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.7 -47.04 64.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.847 0.859 . . . . 10.0 111.525 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -72.95 -29.88 63.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.556 0.947 . . . . 10.0 113.556 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.18 117.23 16.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 122.17 0.986 . . . . 10.0 112.9 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -82.8 -12.42 57.5 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.657 1.183 . . . . 10.0 112.041 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.6 t -150.68 161.87 41.77 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.241 1.016 . . . . 10.0 108.662 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.85 -41.75 92.1 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.704 1.202 . . . . 10.0 110.078 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -54.14 -47.68 71.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.593 0.357 . . . . 10.0 111.386 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -60.06 -52.58 64.75 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -46.92 -51.32 17.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.88 0.872 . . . . 10.0 111.914 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.57 -48.6 76.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.796 -0.565 . . . . 10.0 111.618 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -53.72 -60.93 2.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.414 0.552 . . . . 10.0 112.06 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.355 0.4 OUTLIER -66.87 -30.03 70.09 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.888 0.767 . . . . 10.0 112.59 -174.703 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.07 -50.52 65.83 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.737 1.153 . . . . 10.0 111.223 170.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -48.81 76.03 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.929 -0.482 . . . . 10.0 110.067 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.89 -46.13 74.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.317 1.047 . . . . 10.0 111.054 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -57.36 -52.88 63.56 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.684 0.675 . . . . 10.0 110.344 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.1 mt -51.64 -53.31 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.874 -0.516 . . . . 10.0 110.869 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -51.36 57.97 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.013 1.325 . . . . 10.0 109.387 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -56.19 -51.27 68.65 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.962 0.905 . . . . 10.0 111.553 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -52.99 -55.88 10.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 119.682 1.128 . . . . 10.0 109.632 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.12 -34.76 73.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -70.55 -52.22 23.15 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.202 0.91 . . . . 10.0 111.24 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 125.119 1.368 . . . . 10.0 111.123 -172.711 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -59.04 -45.05 91.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.117 0.567 . . . . 10.0 110.705 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -62.3 -46.17 89.94 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.23 -51.03 59.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.924 0.489 . . . . 10.0 110.651 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -66.93 -49.78 64.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.791 -0.568 . . . . 10.0 111.125 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -53.09 -47.97 68.12 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.287 0.494 . . . . 10.0 110.528 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.69 -53.46 58.1 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.63 0.772 . . . . 10.0 111.209 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.06 -49.36 78.16 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.108 0.48 . . . . 10.0 109.929 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.29 -43.36 96.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.428 1.091 . . . . 10.0 111.67 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.63 -48.51 63.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.268 0.627 . . . . 10.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.32 -54.08 38.77 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.8 mtt -47.47 -44.77 25.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.893 0.877 . . . . 10.0 111.621 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t -63.85 -9.61 15.92 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.172 1.389 . . . . 10.0 113.633 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 61.0 m -55.53 -31.81 62.41 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 119.935 1.243 . . . . 10.0 112.017 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -47.03 -44.27 20.4 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.863 0.756 . . . . 10.0 111.08 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.559 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 tptt . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.3 -76.53 0.48 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 109.917 -1.273 . . . . 10.0 109.917 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -50.54 -34.96 27.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.861 1.264 . . . . 10.0 111.021 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -32.15 -45.08 0.1 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.675 2.39 . . . . 10.0 112.083 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -50.11 -37.44 34.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.634 0.774 . . . . 10.0 112.616 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -78.23 -52.74 8.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.947 0.88 . . . . 10.0 109.336 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.15 77.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-O 122.823 1.297 . . . . 10.0 109.7 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.2 p -75.1 162.93 28.09 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.647 1.979 . . . . 10.0 110.343 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -50.11 -36.92 31.66 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.376 0.671 . . . . 10.0 112.092 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.95 -48.18 80.71 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.365 0.984 . . . . 10.0 110.851 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.86 -43.44 83.56 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -51.63 -48.54 63.29 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.633 0.651 . . . . 10.0 110.643 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.5 m -59.82 -47.28 86.34 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.648 1.579 . . . . 10.0 110.8 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -58.68 -45.42 89.47 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.986 -0.446 . . . . 10.0 109.898 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.02 -45.53 91.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.256 -0.902 . . . . 10.0 111.238 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.7 t -50.96 -50.03 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.529 -0.732 . . . . 10.0 110.239 170.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -54.79 -48.68 72.4 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.632 -0.667 . . . . 10.0 110.186 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -56.02 -41.22 74.6 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-O 118.354 -0.832 . . . . 10.0 112.3 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.96 -54.05 47.77 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.805 1.184 . . . . 10.0 108.954 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -53.55 -52.88 29.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 CA-C-O 118.271 -0.871 . . . . 10.0 110.099 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -58.35 -51.78 68.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.519 1.054 . . . . 10.0 112.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.22 82.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.2 0.6 . . . . 10.0 111.066 -172.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.37 -51.54 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 109.95 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -141.27 90.64 9.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 127.465 2.306 . . . . 10.0 110.667 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.71 123.82 14.62 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.498 2.132 . . . . 10.0 110.843 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.8 p -91.92 119.99 68.1 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 117.835 -1.078 . . . . 10.0 110.256 -175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -49.12 -40.57 41.85 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.531 2.82 . . . . 10.0 113.938 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.16 134.46 11.31 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 117.8 -1.095 . . . . 10.0 108.736 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.42 -42.67 13.91 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.592 2.861 . . . . 10.0 113.577 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.8 52.29 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.513 -0.742 . . . . 10.0 112.033 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -26.09 51.79 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.263 0.625 . . . . 10.0 111.758 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -52.66 -26.73 14.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.254 0.622 . . . . 10.0 112.22 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -67.66 -21.87 65.33 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.52 133.55 55.84 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.404 -0.81 . . . . 10.0 110.215 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -47.37 -43.95 23.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.228 1.011 . . . . 10.0 113.409 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.6 96.29 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.496 -0.752 . . . . 10.0 109.757 177.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.65 -44.11 94.79 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.086 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.2 -41.6 68.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.418 1.008 . . . . 10.0 110.824 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -61.19 -48.8 79.89 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.792 -0.568 . . . . 10.0 111.617 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.79 -40.89 96.81 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.64 -51.04 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.658 1.583 . . . . 10.0 109.017 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.82 76.12 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.192 0.451 . . . . 10.0 110.85 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.06 -51.81 65.16 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.29 0.236 . . . . 10.0 110.4 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.38 80.54 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.241 0.617 . . . . 10.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.14 -54.11 50.47 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.094 0.558 . . . . 10.0 110.438 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -52.88 -54.18 38.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.508 0.723 . . . . 10.0 110.326 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -46.42 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.465 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.3 -43.08 74.49 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.405 1.002 . . . . 10.0 110.857 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.02 -54.66 27.79 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.02 -47.64 64.91 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.77 0.428 . . . . 10.0 110.851 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.17 -47.76 84.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.834 0.454 . . . . 10.0 111.304 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -53.04 -44.67 67.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.433 1.093 . . . . 10.0 110.101 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.92 -41.5 64.5 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.903 0.705 . . . . 10.0 112.903 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -65.17 -41.77 94.31 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.447 -0.783 . . . . 10.0 111.279 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.55 99.01 7.86 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.518 0.727 . . . . 10.0 112.324 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.73 37.26 0.23 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.48 -1.388 . . . . 10.0 111.774 172.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -173.84 152.15 1.94 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.772 1.629 . . . . 10.0 108.837 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -59.56 -42.51 92.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.515 0.726 . . . . 10.0 110.061 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.29 -57.22 11.31 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.363 1.065 . . . . 10.0 109.729 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -56.94 -48.4 78.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.82 -51.03 59.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.936 0.494 . . . . 10.0 111.817 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -58.36 -50.63 72.98 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.883 -0.511 . . . . 10.0 110.752 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -52.6 -61.97 1.94 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.337 0.5 OUTLIER -66.15 -28.79 69.05 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.004 0.82 . . . . 10.0 112.81 -174.457 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.0 mt -64.48 -53.03 54.52 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.772 1.169 . . . . 10.0 110.235 171.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.11 79.15 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.03 -0.419 . . . . 10.0 110.392 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.3 -44.96 84.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.469 0.708 . . . . 10.0 110.815 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -56.93 -52.52 64.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.37 0.532 . . . . 10.0 110.235 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.13 -54.74 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 121.325 0.583 . . . . 10.0 110.148 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -54.59 21.31 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.353 1.461 . . . . 10.0 109.186 -177.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.61 -52.77 64.06 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.134 0.973 . . . . 10.0 110.77 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -47.89 -59.91 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 119.615 1.098 . . . . 10.0 109.147 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -52.39 -55.09 24.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.762 -0.375 . . . . 10.0 111.156 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -58.17 -61.58 2.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.293 0.637 . . . . 10.0 112.688 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.836 1.255 . . . . 10.0 109.75 -179.531 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 113.356 0.873 . . . . 10.0 113.356 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.54 -39.92 92.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.55 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -48.76 78.79 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.76 -53.03 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.253 0.621 . . . . 10.0 110.005 174.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.41 -51.26 64.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.218 -0.42 . . . . 10.0 110.979 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -52.7 -49.32 65.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.419 0.554 . . . . 10.0 110.429 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.22 -50.21 73.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.082 0.953 . . . . 10.0 110.881 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.19 -53.35 59.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.618 0.723 . . . . 10.0 110.225 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.18 -40.73 82.25 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.026 1.33 . . . . 10.0 111.862 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.9 tp -47.8 -49.8 27.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.953 0.901 . . . . 10.0 111.002 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.04 -51.0 43.53 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 64.0 mtt -52.44 -38.57 59.53 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.571 -0.706 . . . . 10.0 112.127 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -62.3 -9.96 9.59 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -56.48 -34.42 66.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.681 1.128 . . . . 10.0 112.055 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.07 -53.76 48.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.703 1.138 . . . . 10.0 110.391 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.232 0.158 0 C-N-CA 124.18 0.992 . . . . 10.0 109.7 -178.825 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.9 -63.71 3.78 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.003 -1.639 . . . . 10.0 109.003 -170.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -62.15 -26.52 68.37 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.867 0.467 . . . . 10.0 111.681 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -43.78 -46.96 7.95 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.789 1.236 . . . . 10.0 112.066 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.74 -29.3 64.64 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.743 0.817 . . . . 10.0 112.383 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -75.85 -14.93 60.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.745 0.818 . . . . 10.0 111.3 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -129.62 84.04 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.848 1.259 . . . . 10.0 108.433 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -74.17 165.46 25.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.512 1.125 . . . . 10.0 111.535 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -49.46 -39.67 34.2 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.906 -1.043 . . . . 10.0 111.992 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.09 -47.16 86.27 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.365 0.984 . . . . 10.0 110.642 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.94 -43.97 86.43 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -51.84 -48.25 64.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.337 0.517 . . . . 10.0 110.784 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 61.5 m -63.31 -45.92 89.11 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.109 1.363 . . . . 10.0 110.674 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -67.61 -32.55 73.35 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.457 -0.777 . . . . 10.0 110.698 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.63 -43.51 89.28 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 120.616 -1.303 . . . . 10.0 110.814 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -51.34 -48.11 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -53.37 -51.55 62.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.098 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -53.22 -43.23 67.09 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.506 0.593 . . . . 10.0 111.571 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 mt -57.28 -53.2 60.81 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 119.161 0.892 . . . . 10.0 110.206 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.59 -49.16 34.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.503 -0.76 . . . . 10.0 109.729 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -62.51 -46.23 89.37 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.288 0.949 . . . . 10.0 111.897 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.5 86.35 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.849 0.86 . . . . 10.0 111.523 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.99 -43.75 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.167 0.587 . . . . 10.0 110.473 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -147.68 92.65 4.71 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.262 1.825 . . . . 10.0 110.701 -168.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -60.18 109.96 0.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 121.837 1.691 . . . . 10.0 108.812 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 m -79.92 125.7 81.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 123.776 0.83 . . . . 10.0 110.808 -169.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.72 -48.83 18.9 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.329 3.352 . . . . 10.0 113.987 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -151.68 137.56 11.22 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 117.492 -1.242 . . . . 10.0 108.05 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -42.49 -43.96 8.28 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.518 2.812 . . . . 10.0 113.712 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.92 60.2 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.728 -0.608 . . . . 10.0 112.011 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.78 42.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.575 0.75 . . . . 10.0 112.063 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.74 -17.92 10.73 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -59.87 -30.31 68.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.935 0.789 . . . . 10.0 112.587 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.99 133.42 55.32 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.841 -0.537 . . . . 10.0 110.058 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -45.67 -45.49 14.13 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.535 1.134 . . . . 10.0 112.354 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -48.81 -55.72 10.79 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.325 1.05 . . . . 10.0 110.245 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.46 -43.86 80.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.508 -176.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -51.57 -45.45 63.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.957 0.799 . . . . 10.0 110.499 175.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -64.37 -45.98 85.35 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.86 -0.525 . . . . 10.0 111.034 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.4 -39.28 92.72 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.511 -0.743 . . . . 10.0 111.116 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -59.91 -50.18 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 126.229 1.811 . . . . 10.0 108.235 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.76 -49.47 70.79 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.176 0.444 . . . . 10.0 110.781 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -55.25 -49.87 70.94 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.011 0.369 . . . . 10.0 110.824 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.08 86.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.802 0.441 . . . . 10.0 111.137 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.63 -53.36 55.79 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.513 0.725 . . . . 10.0 110.042 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.25 -52.9 59.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.015 0.526 . . . . 10.0 110.917 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -47.36 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 122.052 -0.405 . . . . 10.0 110.694 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -56.84 -45.47 82.36 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.564 -0.71 . . . . 10.0 110.445 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.06 22.99 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.574 -1.011 . . . . 10.0 110.574 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -51.16 -49.5 60.76 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.286 0.634 . . . . 10.0 110.893 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.3 mmt -58.23 -48.04 81.63 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.61 -0.233 . . . . 10.0 111.074 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -56.5 -47.96 78.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.243 0.617 . . . . 10.0 110.738 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.46 -34.63 77.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.519 0.728 . . . . 10.0 111.802 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.3 t -71.72 -48.11 49.36 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.539 0.685 . . . . 10.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.45 108.29 2.76 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.208 1.003 . . . . 10.0 113.093 -169.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -6.25 41.78 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.447 -0.783 . . . . 10.0 112.421 175.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.8 m -155.5 152.66 29.18 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.675 -1.266 . . . . 10.0 110.196 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -54.97 -47.97 73.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.653 1.181 . . . . 10.0 111.798 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -51.03 -46.92 61.74 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.957 -0.464 . . . . 10.0 111.073 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.2 -51.54 69.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -49.36 -47.94 47.11 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.301 0.64 . . . . 10.0 111.874 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.88 -47.92 73.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.873 -0.517 . . . . 10.0 111.195 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -53.34 -61.52 2.25 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.338 0.3 OUTLIER -64.79 -29.35 70.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.994 0.815 . . . . 10.0 112.394 -173.541 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.22 -51.67 55.4 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.491 1.041 . . . . 10.0 111.082 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.18 85.19 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.776 -0.577 . . . . 10.0 110.301 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.25 -51.07 67.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.086 0.954 . . . . 10.0 110.307 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -51.52 -53.08 41.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.369 0.531 . . . . 10.0 110.118 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.4 mt -53.66 -51.8 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 117.923 0.329 . . . . 10.0 111.254 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -49.53 -57.23 7.45 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.029 1.332 . . . . 10.0 109.183 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -56.7 -50.61 71.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.904 -0.569 . . . . 10.0 111.321 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.3 mt -49.78 -59.3 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 118.697 0.681 . . . . 10.0 109.786 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -52.9 -52.52 57.32 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.977 0.353 . . . . 10.0 110.679 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -55.53 -40.03 71.31 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 121.161 0.505 . . . . 10.0 110.168 178.099 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 114.546 1.313 . . . . 10.0 114.546 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -60.42 -46.07 91.33 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.856 0.463 . . . . 10.0 110.664 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -43.88 96.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.627 0.771 . . . . 10.0 109.15 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.26 -54.77 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.888 0.475 . . . . 10.0 109.775 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -65.48 -44.68 86.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.275 -0.266 . . . . 10.0 110.695 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -54.45 -53.34 55.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.179 0.592 . . . . 10.0 110.232 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.11 -51.47 69.18 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.576 0.351 . . . . 10.0 110.948 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.51 -49.95 74.67 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.398 0.679 . . . . 10.0 110.171 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.28 -43.6 98.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.554 1.142 . . . . 10.0 111.283 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.9 tp -46.07 -52.76 11.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.344 1.058 . . . . 10.0 112.159 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.67 -52.0 67.53 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 76.5 mtp -54.59 -43.94 72.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.637 0.775 . . . . 10.0 110.201 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -59.97 -14.99 18.56 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 10.0 112.849 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -53.03 -35.08 59.07 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.9 -1.125 . . . . 10.0 109.923 169.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.01 -28.56 69.66 Favored 'General case' 0 C--O 1.224 -0.263 0 O-C-N 121.635 -0.665 . . . . 10.0 111.764 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.457 -0.075 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 171.774 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 111.748 0.277 . . . . 10.0 111.748 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.02 -65.56 3.75 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -64.63 -25.48 67.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.777 0.431 . . . . 10.0 111.029 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -39.73 -47.24 2.01 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.852 1.661 . . . . 10.0 111.569 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.62 -37.06 11.85 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 126.517 1.927 . . . . 10.0 112.812 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -69.24 -26.91 65.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.957 0.903 . . . . 10.0 111.58 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.1 t -116.32 94.35 3.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.351 1.06 . . . . 10.0 108.897 -172.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 p -82.23 166.93 19.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.38 1.472 . . . . 10.0 110.983 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -45.65 -41.87 10.81 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.945 1.298 . . . . 10.0 112.356 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.25 -47.93 83.88 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.53 -0.731 . . . . 10.0 110.999 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -67.54 -40.61 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.829 -0.544 . . . . 10.0 109.534 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -53.57 -50.93 64.51 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.71 -0.619 . . . . 10.0 109.8 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.8 m -55.28 -49.24 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.927 1.291 . . . . 10.0 111.133 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -57.43 -50.57 72.6 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.289 0.635 . . . . 10.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -61.72 -45.77 92.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.207 0.603 . . . . 10.0 110.953 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.87 -50.63 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.26 0.624 . . . . 10.0 110.002 171.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.38 -48.13 74.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.857 -0.527 . . . . 10.0 109.919 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.58 -41.59 77.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.42 -0.8 . . . . 10.0 112.347 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.55 -54.61 38.95 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.681 1.128 . . . . 10.0 109.021 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -53.86 -51.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 CA-C-O 118.624 -0.703 . . . . 10.0 109.774 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.62 -47.7 84.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 119.153 0.888 . . . . 10.0 111.45 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.62 98.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.976 -0.453 . . . . 10.0 111.015 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.23 -42.26 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.127 0.571 . . . . 10.0 110.569 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -150.78 88.79 4.49 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 126.77 2.028 . . . . 10.0 109.967 -168.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -53.04 114.89 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.71 2.274 . . . . 10.0 110.346 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -85.74 127.09 64.07 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 123.591 0.756 . . . . 10.0 109.303 -169.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.43 -48.3 19.32 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 124.097 3.198 . . . . 10.0 114.039 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -156.89 143.14 13.08 Favored Pre-proline 0 N--CA 1.456 -0.167 0 CA-C-O 117.459 -1.258 . . . . 10.0 107.638 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -42.75 -44.16 8.86 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.224 2.616 . . . . 10.0 113.659 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.44 -33.54 54.49 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.643 -0.661 . . . . 10.0 112.236 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.62 -25.42 60.09 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.4 0.68 . . . . 10.0 111.765 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.65 -17.67 16.07 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.24 -20.31 66.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.851 0.75 . . . . 10.0 112.769 173.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -64.81 144.79 57.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.141 0.882 . . . . 10.0 110.327 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -41.02 71.81 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.704 -0.622 . . . . 10.0 112.368 -171.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.58 -44.5 90.48 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.381 -0.824 . . . . 10.0 109.006 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.2 tpt -56.37 -48.02 77.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.039 0.535 . . . . 10.0 110.172 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.07 -43.31 73.79 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.122 0.969 . . . . 10.0 110.983 174.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.04 -42.14 97.92 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.671 -0.643 . . . . 10.0 110.76 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -43.19 96.72 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.524 -0.735 . . . . 10.0 110.191 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.71 -49.35 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 122.977 0.511 . . . . 10.0 109.917 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.15 76.8 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.996 0.518 . . . . 10.0 110.672 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -52.67 -51.35 60.6 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.664 0.386 . . . . 10.0 110.239 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.35 84.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.564 0.346 . . . . 10.0 111.026 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -54.29 -53.5 52.97 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.041 0.536 . . . . 10.0 110.281 174.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.65 -54.12 45.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.343 0.657 . . . . 10.0 110.564 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -45.28 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 122.789 0.436 . . . . 10.0 110.47 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.82 -46.54 78.07 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.827 0.739 . . . . 10.0 110.862 173.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -51.7 43.31 Favored Glycine 0 CA--C 1.533 1.183 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -53.77 -48.29 69.88 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.97 -0.723 . . . . 10.0 110.744 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.5 mmt -59.75 -45.17 93.06 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.453 -0.308 . . . . 10.0 111.308 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -55.63 -46.12 77.47 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.15 0.58 . . . . 10.0 110.269 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.5 -40.99 89.53 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.544 0.737 . . . . 10.0 111.319 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -71.76 -46.53 58.1 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.271 0.558 . . . . 10.0 111.838 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 113.42 2.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.911 1.285 . . . . 10.0 113.985 -169.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -61.62 -30.87 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.815 0.846 . . . . 10.0 112.747 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 m -140.57 157.22 45.79 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.633 1.173 . . . . 10.0 109.868 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -55.58 -49.54 72.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.857 0.837 . . . . 10.0 110.736 175.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.31 -46.58 25.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.053 0.941 . . . . 10.0 110.993 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.55 -52.08 65.9 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -50.36 -48.42 55.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.477 1.111 . . . . 10.0 111.503 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -61.12 -53.02 62.24 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 121.626 -0.671 . . . . 10.0 110.947 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -52.11 -61.14 2.45 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.695 0.398 . . . . 10.0 111.777 -178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.351 0.3 OUTLIER -66.58 -27.34 67.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.745 -175.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.5 mt -65.56 -51.83 56.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.244 1.383 . . . . 10.0 110.639 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.69 -47.18 77.21 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.061 -0.399 . . . . 10.0 110.199 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.12 -43.38 95.66 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.029 0.532 . . . . 10.0 110.839 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -56.95 -51.98 67.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.462 -0.773 . . . . 10.0 110.014 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.77 -53.59 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.045 0.384 . . . . 10.0 110.162 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.14 -56.75 8.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.812 1.245 . . . . 10.0 109.593 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.15 -48.71 79.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.463 -0.78 . . . . 10.0 111.296 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.93 -55.59 13.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 119.218 0.917 . . . . 10.0 109.24 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.17 -54.68 27.76 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.83 -0.605 . . . . 10.0 110.324 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -51.44 -58.6 5.81 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.761 0.71 . . . . 10.0 111.656 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 124.774 1.23 . . . . 10.0 111.651 179.63 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -57.33 -47.4 81.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.988 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -44.13 95.25 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.62 -56.09 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.354 0.661 . . . . 10.0 109.584 173.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -66.28 -46.74 75.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.138 -0.351 . . . . 10.0 111.451 -173.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.38 -50.02 72.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.07 0.395 . . . . 10.0 110.017 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.4 tp -56.0 -51.89 66.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.975 0.91 . . . . 10.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.02 -54.92 41.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.471 0.653 . . . . 10.0 110.17 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.78 -43.28 80.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.891 1.276 . . . . 10.0 111.216 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.78 -52.44 40.8 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.695 0.798 . . . . 10.0 110.691 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.73 -51.7 61.0 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.9 mtt -49.42 -38.41 29.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.992 0.517 . . . . 10.0 112.306 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.7 m -66.46 -15.83 63.65 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 45.8 m -49.73 -47.85 50.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.597 1.09 . . . . 10.0 111.51 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.21 -39.72 79.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.172 0.442 . . . . 10.0 112.006 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 CA--C 1.528 0.113 0 O-C-N 122.014 -0.429 . . . . 10.0 109.984 176.25 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 121.049 0.452 . . . . 10.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.1 -66.12 1.87 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.718 -1.239 . . . . 10.0 110.666 -172.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -69.46 -19.54 63.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.603 1.161 . . . . 10.0 112.862 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -42.75 -42.86 3.71 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 125.893 1.677 . . . . 10.0 113.377 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.86 -32.07 5.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.93 1.292 . . . . 10.0 113.054 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -74.23 -28.93 61.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.038 0.535 . . . . 10.0 112.045 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.9 t -118.6 92.38 2.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 124.19 0.996 . . . . 10.0 110.775 -169.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -80.85 165.74 21.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.052 1.741 . . . . 10.0 111.526 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -48.86 -41.41 33.09 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.498 1.119 . . . . 10.0 112.144 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -58.76 4.55 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.25 1.02 . . . . 10.0 110.47 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -51.44 -49.76 61.08 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.666 0.666 . . . . 10.0 110.736 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 t -61.18 -46.83 88.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.821 0.848 . . . . 10.0 110.413 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -55.2 -48.83 73.27 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.07 -47.85 84.14 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 10.0 111.083 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.8 t -49.25 -50.42 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 119.064 0.847 . . . . 10.0 110.448 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -55.66 -49.6 72.49 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.661 -0.649 . . . . 10.0 110.478 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.73 -39.93 68.75 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.696 -0.668 . . . . 10.0 111.756 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -57.86 -53.08 62.31 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 119.509 1.05 . . . . 10.0 109.728 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.56 -51.2 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 119.093 -0.48 . . . . 10.0 109.741 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -57.46 -49.65 75.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.482 0.583 . . . . 10.0 111.908 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.23 99.26 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.478 0.711 . . . . 10.0 110.691 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.82 -49.28 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.292 0.637 . . . . 10.0 109.798 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -159.35 99.21 1.57 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.242 1.417 . . . . 10.0 110.276 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -56.03 128.95 32.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.439 2.759 . . . . 10.0 112.224 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.9 p -93.16 119.22 67.75 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-O 118.037 -0.982 . . . . 10.0 110.648 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.45 -37.08 61.03 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.412 2.741 . . . . 10.0 114.584 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -151.88 135.66 9.66 Favored Pre-proline 0 C--N 1.341 0.213 0 CA-C-O 117.788 -1.101 . . . . 10.0 109.361 -175.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -42.74 -45.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.793 2.995 . . . . 10.0 113.857 171.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.0 -34.31 55.72 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.575 -0.703 . . . . 10.0 112.054 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.35 51.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.267 0.627 . . . . 10.0 111.655 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.71 -25.89 20.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.274 0.63 . . . . 10.0 112.251 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.99 -20.37 65.02 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.52 138.89 57.96 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.89 0.768 . . . . 10.0 110.727 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -56.85 -30.08 63.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -80.24 -41.03 25.87 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.432 0.56 . . . . 10.0 110.496 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.8 mmm -59.78 -43.37 94.42 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.443 -0.786 . . . . 10.0 110.87 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -51.0 -36.9 41.76 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.844 0.458 . . . . 10.0 110.562 171.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.733 -0.604 . . . . 10.0 111.536 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.65 -47.18 84.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.43 -53.74 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.487 1.115 . . . . 10.0 109.19 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.49 -49.26 73.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.825 0.85 . . . . 10.0 110.851 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -54.62 -52.46 62.15 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 122.614 0.365 . . . . 10.0 110.414 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.92 87.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.619 0.768 . . . . 10.0 111.027 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.57 -54.4 46.4 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.458 0.572 . . . . 10.0 110.235 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -52.55 -55.39 22.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.808 0.843 . . . . 10.0 110.833 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -48.49 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.856 0.862 . . . . 10.0 110.45 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.25 -47.82 77.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.393 0.997 . . . . 10.0 110.736 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.12 -55.6 25.4 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -48.95 -51.1 32.26 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.866 0.867 . . . . 10.0 110.881 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.8 mmt -62.03 -44.79 95.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.777 -0.63 . . . . 10.0 111.204 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.37 -49.11 70.6 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.029 0.832 . . . . 10.0 110.023 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.97 -35.24 74.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -73.12 -38.7 66.22 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.627 -0.671 . . . . 10.0 112.18 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 108.93 3.44 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.549 1.139 . . . . 10.0 113.371 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -58.24 -36.9 73.89 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.187 0.595 . . . . 10.0 112.182 174.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.0 t -131.79 155.71 47.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.612 1.565 . . . . 10.0 110.156 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -50.47 -39.92 49.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.263 1.425 . . . . 10.0 109.707 169.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.35 -48.54 76.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.995 0.426 . . . . 10.0 110.045 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.51 -51.0 69.15 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -45.89 -53.36 9.95 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.152 0.981 . . . . 10.0 111.662 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.5 -54.3 48.19 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.772 -0.58 . . . . 10.0 111.198 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.19 -60.38 3.36 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.313 0.3 OUTLIER -68.08 -25.67 65.45 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.543 -0.741 . . . . 10.0 112.646 -175.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.94 -54.47 34.04 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 120.202 1.365 . . . . 10.0 110.017 170.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.76 -47.13 74.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.069 -0.395 . . . . 10.0 110.346 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.092 -0.48 . . . . 10.0 111.11 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.93 -48.58 73.6 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 10.0 110.421 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.5 mt -54.64 -54.55 21.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.43 0.633 . . . . 10.0 109.406 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.22 -55.32 15.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.252 1.421 . . . . 10.0 108.795 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -46.51 -61.59 1.75 Allowed 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 124.658 1.183 . . . . 10.0 110.964 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.4 mt -49.33 -63.44 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 119.532 1.06 . . . . 10.0 109.618 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -66.01 -25.09 66.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 119.641 -0.823 . . . . 10.0 112.458 -171.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -65.9 0.95 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.062 0.846 . . . . 10.0 110.871 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 C--N 1.332 -0.156 0 C-N-CA 125.891 1.676 . . . . 10.0 111.713 179.418 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 121.255 0.55 . . . . 10.0 111.67 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -58.02 -41.91 84.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.456 0.703 . . . . 10.0 111.215 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -52.14 62.82 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 14.4 mm -52.78 -57.4 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.798 0.839 . . . . 10.0 109.775 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -65.69 -47.54 75.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.015 -0.517 . . . . 10.0 111.311 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.08 -45.72 86.67 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.014 0.824 . . . . 10.0 110.373 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.91 -50.21 73.23 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.261 0.482 . . . . 10.0 110.793 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.06 -51.09 69.1 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.506 0.67 . . . . 10.0 110.334 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.92 -30.96 69.53 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.92 1.288 . . . . 10.0 112.627 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 60.9 tp -46.48 -45.55 18.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.37 1.068 . . . . 10.0 110.909 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.39 -52.83 14.29 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.745 0.418 . . . . 10.0 109.974 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.8 mmt -47.34 -41.49 19.51 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.586 0.754 . . . . 10.0 111.43 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.9 m -57.9 -24.95 60.05 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 41.1 m -42.09 -44.14 3.51 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.487 1.04 . . . . 10.0 113.186 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -55.76 -34.52 65.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 -175.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 118.616 0.644 . . . . 10.0 110.973 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 106.58 -1.637 . . . . 10.0 106.58 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.34 -53.91 11.13 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.771 1.169 . . . . 10.0 111.662 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -62.27 -15.58 48.29 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.659 1.184 . . . . 10.0 113.711 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -59.35 -25.23 64.05 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.203 -0.936 . . . . 10.0 111.115 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -47.22 -36.19 8.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.601 1.16 . . . . 10.0 111.119 169.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -99.28 -51.02 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.738 1.215 . . . . 10.0 110.559 -177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -79.4 90.89 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.228 0.537 . . . . 10.0 111.104 -175.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -71.14 160.44 32.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.522 1.153 . . . . 10.0 112.971 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -52.14 -39.84 60.54 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.705 -1.134 . . . . 10.0 112.247 174.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -56.08 -48.22 76.53 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.576 0.75 . . . . 10.0 111.517 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.95 -49.26 78.16 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.626 -0.671 . . . . 10.0 109.608 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -51.74 -46.8 64.15 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -58.42 -48.77 79.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.605 1.162 . . . . 10.0 111.374 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -63.25 -39.03 93.44 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.675 -0.64 . . . . 10.0 110.4 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.12 -46.34 89.48 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.047 -1.033 . . . . 10.0 110.865 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -50.99 -51.63 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 121.312 -0.868 . . . . 10.0 110.212 169.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.83 -47.32 64.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.693 -0.67 . . . . 10.0 111.353 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -57.76 -46.66 84.22 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.447 0.699 . . . . 10.0 111.341 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -51.24 -52.53 43.86 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -55.06 -53.03 38.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.885 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -54.1 -50.2 67.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.695 1.134 . . . . 10.0 111.856 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -36.67 84.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.978 0.511 . . . . 10.0 111.499 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.2 mt -74.35 -53.09 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 121.322 0.582 . . . . 10.0 109.693 173.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -137.36 103.18 8.73 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 128.038 2.535 . . . . 10.0 109.878 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.4 107.12 1.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.514 2.143 . . . . 10.0 109.793 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 m -74.49 133.46 77.22 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 -173.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -65.88 -40.64 16.07 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.421 2.081 . . . . 10.0 112.124 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -151.09 140.55 13.84 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 117.417 -1.278 . . . . 10.0 108.059 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -41.59 -45.5 6.3 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.59 2.86 . . . . 10.0 113.979 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.54 62.78 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.608 -0.683 . . . . 10.0 112.004 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -21.74 60.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.527 0.731 . . . . 10.0 112.063 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.44 -26.87 44.53 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.82 0.736 . . . . 10.0 111.76 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -15.68 63.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.32 133.09 54.62 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.363 -0.836 . . . . 10.0 110.09 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -54.15 -24.82 19.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.153 0.981 . . . . 10.0 113.532 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -71.2 -48.91 48.64 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.557 0.617 . . . . 10.0 110.235 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.99 -39.08 87.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.656 0.782 . . . . 10.0 110.822 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -40.26 -39.95 1.04 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.581 1.552 . . . . 10.0 112.348 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -64.11 -50.82 66.78 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.634 0.774 . . . . 10.0 111.326 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.56 -42.63 99.67 Favored 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.12 -52.75 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.069 0.547 . . . . 10.0 109.891 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.69 71.0 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.241 0.616 . . . . 10.0 110.994 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.56 -52.32 62.47 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.384 -0.197 . . . . 10.0 110.546 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.37 80.7 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.578 0.751 . . . . 10.0 111.233 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.14 -53.64 54.7 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.002 0.521 . . . . 10.0 110.722 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -53.79 -55.31 27.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.414 0.686 . . . . 10.0 110.383 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -44.47 98.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.255 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.73 -45.91 77.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.388 -0.82 . . . . 10.0 110.826 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -54.37 28.35 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.089 -0.805 . . . . 10.0 111.089 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.09 -49.79 59.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.027 0.531 . . . . 10.0 111.121 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -61.16 -42.37 98.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.281 -0.39 . . . . 10.0 111.349 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.73 -49.68 75.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.471 0.578 . . . . 10.0 110.29 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.99 -41.79 99.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 111.589 0.218 . . . . 10.0 111.589 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 m -63.08 -43.19 99.21 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.655 0.74 . . . . 10.0 111.845 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 107.14 2.38 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.383 1.087 . . . . 10.0 112.73 -169.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.812 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -149.6 164.19 35.82 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.879 0.871 . . . . 10.0 110.733 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -55.37 -48.81 73.72 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.902 1.681 . . . . 10.0 110.816 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -49.46 -53.56 22.4 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.038 0.535 . . . . 10.0 110.843 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -55.83 -51.5 67.29 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 123.059 0.543 . . . . 10.0 110.157 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -49.46 -52.16 30.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.536 0.607 . . . . 10.0 112.343 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -58.02 -51.81 68.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.995 -0.44 . . . . 10.0 110.616 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -54.47 -60.87 2.76 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -66.07 -30.64 71.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.279 0.945 . . . . 10.0 112.971 -175.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.92 -52.69 47.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.836 1.198 . . . . 10.0 110.923 171.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.06 71.79 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.78 -45.69 91.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.664 0.786 . . . . 10.0 110.72 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -55.26 -54.29 45.28 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.817 0.735 . . . . 10.0 110.248 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' B' ' 95' ' ' LEU . 35.9 mt -50.4 -53.94 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.402 0.62 . . . . 10.0 110.453 174.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.28 -51.49 64.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.694 1.198 . . . . 10.0 110.61 -175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -56.02 -51.16 68.76 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.494 0.718 . . . . 10.0 111.394 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.75 -52.33 17.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -62.39 -46.01 90.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.52 1.054 . . . . 10.0 112.138 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -56.37 -41.32 76.01 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.755 -1.215 . . . . 10.0 111.563 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 123.342 0.657 . . . . 10.0 111.571 177.866 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 116.193 1.923 . . . . 10.0 116.193 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -52.39 -54.23 34.68 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.522 0.729 . . . . 10.0 110.531 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -47.85 83.71 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.89 -44.23 48.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 122.987 0.515 . . . . 10.0 110.871 -175.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -72.23 -48.51 42.3 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.852 -0.53 . . . . 10.0 112.056 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.5 -45.45 81.02 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.496 0.589 . . . . 10.0 111.5 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 72' ' ' ILE . 52.1 tp -47.44 -58.0 4.69 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.534 2.334 . . . . 10.0 110.5 172.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.91 -54.71 43.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.024 0.53 . . . . 10.0 110.321 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.38 -44.42 76.08 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.599 1.16 . . . . 10.0 111.402 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.31 -52.45 65.3 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.922 0.889 . . . . 10.0 110.027 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.17 -50.32 74.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 22.0 mmt -50.34 -42.97 53.86 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.264 0.484 . . . . 10.0 111.88 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 69.3 m -65.16 -36.35 83.96 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -174.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -19.74 -63.23 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -169.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.68 -38.02 31.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.733 1.151 . . . . 10.0 113.627 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.843 -0.535 . . . . 10.0 110.346 178.042 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 106.444 -1.687 . . . . 10.0 106.444 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.3 -46.72 28.27 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 118.735 0.698 . . . . 10.0 111.925 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -60.93 -12.56 11.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -57.35 -30.01 64.48 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.069 0.849 . . . . 10.0 111.401 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.93 -35.84 6.96 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.356 1.062 . . . . 10.0 111.402 170.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -100.37 -39.48 7.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.876 1.27 . . . . 10.0 111.081 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -91.31 89.9 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.554 0.692 . . . . 10.0 110.011 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -71.95 160.29 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.885 0.85 . . . . 10.0 111.395 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -51.66 -39.08 57.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.738 0.815 . . . . 10.0 111.341 174.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.04 -56.77 9.46 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.28 1.032 . . . . 10.0 110.432 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.25 -45.54 94.11 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -53.88 -49.95 67.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.548 0.613 . . . . 10.0 111.004 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 t -60.99 -45.4 94.98 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.989 0.915 . . . . 10.0 110.247 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -57.52 -50.26 73.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.68 -44.98 82.0 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.098 0.559 . . . . 10.0 111.078 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.8 t -50.49 -51.27 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 119.436 1.016 . . . . 10.0 110.761 170.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.21 -50.31 69.74 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.464 -0.772 . . . . 10.0 110.483 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -51.59 -44.19 62.74 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 118.658 -0.687 . . . . 10.0 111.133 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.3 mt -53.14 -56.67 14.54 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.993 0.815 . . . . 10.0 109.155 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -53.63 -59.83 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-O 118.528 -0.749 . . . . 10.0 110.459 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.59 -37.42 86.15 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.535 1.061 . . . . 10.0 112.507 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.14 86.86 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.304 -0.873 . . . . 10.0 110.589 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.5 mt -68.66 -47.1 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.95 0.5 . . . . 10.0 110.304 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -146.72 91.75 5.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 127.175 2.19 . . . . 10.0 108.788 -169.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.68 119.98 4.22 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.7 2.933 . . . . 10.0 112.95 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.2 p -72.68 121.12 84.12 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-O 117.712 -1.137 . . . . 10.0 110.047 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.12 -45.3 42.0 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.719 2.279 . . . . 10.0 112.783 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -165.63 148.47 6.71 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.466 -1.254 . . . . 10.0 107.741 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.52 -43.79 17.57 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.862 2.375 . . . . 10.0 113.179 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.11 37.02 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.668 -0.645 . . . . 10.0 112.684 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.53 -25.02 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.795 -0.566 . . . . 10.0 111.762 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.1 mt -54.46 -31.53 55.8 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -170.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.28 -20.38 65.63 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.86 131.92 36.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 118.688 0.676 . . . . 10.0 109.606 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -53.41 -47.67 69.37 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.684 0.674 . . . . 10.0 112.677 -172.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.1 -49.64 76.86 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.628 -0.67 . . . . 10.0 109.611 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.7 ttm -58.69 -46.43 87.27 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.838 -0.165 . . . . 10.0 110.626 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.83 -46.99 68.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.551 1.54 . . . . 10.0 110.472 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -61.12 -42.83 99.24 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.897 -0.502 . . . . 10.0 110.516 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -64.81 -39.32 93.4 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.713 -0.617 . . . . 10.0 110.977 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.49 -50.83 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 124.764 1.226 . . . . 10.0 109.053 172.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.62 76.64 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.02 -0.425 . . . . 10.0 110.716 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.66 -53.38 52.77 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 122.763 0.425 . . . . 10.0 110.135 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.38 77.84 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.339 0.656 . . . . 10.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -56.98 -52.82 63.72 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.193 0.451 . . . . 10.0 110.471 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -54.48 -53.68 51.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.391 0.676 . . . . 10.0 110.476 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.53 -51.3 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.977 0.911 . . . . 10.0 110.16 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -53.58 -46.99 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.294 0.952 . . . . 10.0 110.476 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.42 -58.59 10.64 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.624 -0.99 . . . . 10.0 110.624 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.99 -51.52 41.02 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.387 0.675 . . . . 10.0 111.102 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 mmt -57.59 -43.37 84.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.962 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.71 -52.72 64.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 117.907 0.321 . . . . 10.0 110.406 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.17 -40.99 95.98 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.109 -0.369 . . . . 10.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -63.95 -49.02 74.2 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.136 0.574 . . . . 10.0 111.497 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 111.83 3.78 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 122.042 0.925 . . . . 10.0 112.969 -169.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -55.61 -32.8 63.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.523 0.729 . . . . 10.0 112.512 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -155.05 154.4 32.41 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.502 -0.749 . . . . 10.0 110.561 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -48.63 -45.35 38.27 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.438 1.495 . . . . 10.0 112.535 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.29 -49.32 64.39 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.594 0.757 . . . . 10.0 111.318 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.47 -48.24 78.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -50.95 -52.49 41.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.249 0.62 . . . . 10.0 111.918 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.01 -51.17 70.31 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.8 -0.562 . . . . 10.0 110.324 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -53.74 -63.13 1.25 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.507 0.558 . . . . 10.0 112.507 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -65.08 -29.19 70.04 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.83 0.741 . . . . 10.0 112.588 -174.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.09 -54.69 30.11 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.567 1.076 . . . . 10.0 110.488 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.9 -46.39 71.41 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.05 -47.6 80.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.138 0.575 . . . . 10.0 110.842 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -58.84 -47.72 83.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.559 -0.713 . . . . 10.0 110.529 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.438 ' CG2' HD11 ' B' ' 95' ' ' LEU . 87.3 mt -53.13 -53.96 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -52.66 29.26 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.209 1.403 . . . . 10.0 109.42 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -56.31 -58.65 7.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 117.951 -1.024 . . . . 10.0 111.853 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.71 -56.93 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 119.636 1.107 . . . . 10.0 109.188 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.09 -56.48 14.15 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 118.449 -0.786 . . . . 10.0 111.474 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -56.43 -56.88 15.69 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.184 1.356 . . . . 10.0 112.354 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 125.204 1.402 . . . . 10.0 109.548 -178.895 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 115.616 1.71 . . . . 10.0 115.616 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -56.58 -47.32 79.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.814 0.446 . . . . 10.0 110.884 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -43.46 98.79 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -58.81 -56.52 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 121.349 0.595 . . . . 10.0 109.573 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -67.27 -44.79 78.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.223 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -56.15 -47.68 77.73 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.438 HD11 ' CG2' ' A' ' 72' ' ' ILE . 46.3 tp -57.73 -49.58 76.07 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.899 0.318 . . . . 10.0 111.2 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.1 -57.95 10.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.522 0.677 . . . . 10.0 110.208 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.4 tp -53.37 -44.98 69.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.047 1.339 . . . . 10.0 110.952 -173.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -47.85 -54.99 10.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.532 1.133 . . . . 10.0 110.14 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.78 -52.18 40.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.3 mmt -45.39 -40.45 8.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.016 0.526 . . . . 10.0 112.356 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -65.14 -24.66 67.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.097 1.147 . . . . 10.0 114.097 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.8 m -36.24 -59.33 0.63 Allowed 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 115.588 1.699 . . . . 10.0 115.588 -168.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -46.96 -41.16 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.69 1.586 . . . . 10.0 113.63 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 . . . . . 0 C--N 1.332 -0.17 0 C-N-CA 123.574 0.75 . . . . 10.0 109.292 179.764 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.22 10.64 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.34 0.495 . . . . 10.0 113.013 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -71.69 -28.26 63.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -52.43 -45.58 66.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.668 0.667 . . . . 10.0 110.288 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -35.66 -39.66 0.15 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 127.402 2.281 . . . . 10.0 113.29 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -92.24 -14.05 29.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.107 0.963 . . . . 10.0 112.443 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.71 107.78 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.866 0.866 . . . . 10.0 109.704 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -74.47 160.16 31.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.766 0.793 . . . . 10.0 112.604 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -54.31 -44.99 72.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.738 1.215 . . . . 10.0 110.511 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -60.65 -46.07 91.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.723 -0.611 . . . . 10.0 111.604 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.72 -48.28 81.72 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.198 0.908 . . . . 10.0 110.037 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -51.68 -48.7 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.388 0.275 . . . . 10.0 110.369 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -58.32 -46.95 85.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.393 0.677 . . . . 10.0 111.283 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -65.25 -43.71 90.49 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.766 -0.584 . . . . 10.0 110.546 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.85 -47.3 85.34 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.797 -0.565 . . . . 10.0 110.67 174.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 t -52.66 -44.8 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.8 0.84 . . . . 10.0 110.283 171.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.83 -48.85 78.56 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.151 -0.968 . . . . 10.0 110.468 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -51.39 -42.83 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.058 0.845 . . . . 10.0 111.218 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.11 -51.09 71.16 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.62 0.646 . . . . 10.0 111.233 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.9 t -53.29 -47.38 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.852 -0.594 . . . . 10.0 110.134 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.15 -47.93 77.27 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.066 0.848 . . . . 10.0 111.141 175.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.36 85.23 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.921 -0.487 . . . . 10.0 111.714 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.1 mt -70.31 -40.81 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.877 0.471 . . . . 10.0 110.352 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -162.19 95.15 1.24 Allowed Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 125.03 1.332 . . . . 10.0 109.37 -169.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.91 96.57 0.04 OUTLIER 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.343 3.362 . . . . 10.0 112.819 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.2 m -87.6 135.88 33.63 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 124.125 0.97 . . . . 10.0 108.503 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.47 -49.22 6.13 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.023 2.482 . . . . 10.0 113.93 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.31 141.65 21.75 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-O 117.649 -1.167 . . . . 10.0 108.72 -170.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -40.9 -46.79 4.93 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.529 2.82 . . . . 10.0 113.9 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.79 -38.43 61.13 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.665 -0.647 . . . . 10.0 111.823 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.81 -17.18 62.84 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.034 0.534 . . . . 10.0 111.959 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.87 -27.17 67.93 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.953 0.797 . . . . 10.0 111.187 171.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.4 49.37 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.516 0.726 . . . . 10.0 111.272 -173.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.4 147.17 51.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.103 1.361 . . . . 10.0 110.784 -171.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -47.7 63.7 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.564 1.546 . . . . 10.0 111.964 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -65.52 -57.84 7.25 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 108.499 -0.926 . . . . 10.0 108.499 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.4 mmm -51.42 -39.03 56.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.685 0.794 . . . . 10.0 112.812 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -39.46 -42.86 1.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.688 1.195 . . . . 10.0 111.909 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -66.04 -47.22 75.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 123.341 0.656 . . . . 10.0 110.677 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.46 -45.53 90.4 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -52.95 -53.06 23.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 123.539 0.735 . . . . 10.0 109.363 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -52.03 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.432 0.693 . . . . 10.0 110.966 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.7 -49.93 66.98 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.921 0.328 . . . . 10.0 110.621 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.02 91.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.593 0.357 . . . . 10.0 110.954 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.69 -50.24 73.86 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.143 -0.348 . . . . 10.0 110.502 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.02 -55.74 27.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.458 0.703 . . . . 10.0 110.746 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -47.18 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.81 -34.89 75.22 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.241 -0.912 . . . . 10.0 111.498 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.17 -55.39 26.55 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.078 -1.209 . . . . 10.0 110.078 170.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -51.21 -47.59 62.26 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.097 0.449 . . . . 10.0 110.814 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 mmt -58.61 -43.82 89.73 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 111.769 0.285 . . . . 10.0 111.769 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -62.75 -39.21 93.41 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.458 1.103 . . . . 10.0 110.455 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.6 -46.09 70.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.372 0.669 . . . . 10.0 111.25 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -69.51 -53.26 19.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.821 0.849 . . . . 10.0 111.783 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 123.94 18.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.67 0.788 . . . . 10.0 110.721 -175.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -106.08 23.57 13.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.039 0.536 . . . . 10.0 110.939 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.1 p -161.62 157.82 25.21 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 169.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -64.31 -47.41 79.54 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.255 0.55 . . . . 10.0 109.956 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.3 -45.75 65.68 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.342 0.657 . . . . 10.0 111.192 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.5 -48.72 80.55 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.143 0.883 . . . . 10.0 110.075 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -52.86 -48.66 66.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.643 0.377 . . . . 10.0 111.349 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -58.33 -51.64 68.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.965 -0.459 . . . . 10.0 111.011 172.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -53.83 -60.63 3.07 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.668 0.387 . . . . 10.0 111.791 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -67.17 -31.28 71.6 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.774 0.715 . . . . 10.0 112.875 -175.622 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -65.75 -50.42 64.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.96 1.255 . . . . 10.0 110.677 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.56 75.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.787 0.435 . . . . 10.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.34 -43.4 96.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.104 0.561 . . . . 10.0 110.677 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.66 -47.74 83.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.769 -0.582 . . . . 10.0 110.167 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' B' ' 95' ' ' LEU . 23.5 mt -55.21 -51.59 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 121.741 -0.599 . . . . 10.0 110.73 173.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -51.99 53.32 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.652 1.181 . . . . 10.0 108.819 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -55.32 -59.47 4.75 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.308 1.043 . . . . 10.0 111.328 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.8 mt -43.97 -61.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 123.884 0.874 . . . . 10.0 109.692 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.03 -53.57 54.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.414 -0.327 . . . . 10.0 111.22 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -55.22 -54.6 41.32 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 118.855 0.752 . . . . 10.0 112.536 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.45 -0.469 0 C-N-CA 124.081 0.952 . . . . 10.0 109.669 178.355 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -54.02 -51.44 64.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.807 0.843 . . . . 10.0 111.195 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -29.45 61.64 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 119.201 -0.428 . . . . 10.0 110.77 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.15 -57.25 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.17 -45.83 75.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.897 -170.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.55 -49.97 69.05 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.216 0.462 . . . . 10.0 110.136 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.412 HD11 ' CG2' ' A' ' 72' ' ' ILE . 58.5 tp -57.49 -53.78 54.31 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.453 0.301 . . . . 10.0 111.104 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.98 -53.17 61.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.405 0.682 . . . . 10.0 110.103 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.6 -43.77 89.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.941 1.297 . . . . 10.0 111.128 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.42 -50.77 59.06 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.019 0.528 . . . . 10.0 110.538 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.12 -53.39 54.24 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mtt -50.85 -36.87 39.87 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 122.791 0.436 . . . . 10.0 111.93 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.7 m -72.47 -9.82 59.01 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.385 1.254 . . . . 10.0 114.385 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -48.54 -51.83 25.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.57 1.532 . . . . 10.0 113.868 -169.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.04 -36.24 67.8 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 120.756 -1.215 . . . . 10.0 112.48 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 177.899 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 tptp . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.491 0.186 . . . . 10.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.56 -66.0 2.04 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.742 -1.343 . . . . 10.0 109.742 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -70.61 -9.74 57.65 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.235 1.014 . . . . 10.0 113.469 -177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -57.71 -37.05 72.84 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.7 1.2 . . . . 10.0 109.895 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -29.93 -46.28 0.06 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 128.785 2.834 . . . . 10.0 114.909 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -112.94 18.79 17.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.626 0.77 . . . . 10.0 112.862 -173.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.11 95.75 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.937 0.895 . . . . 10.0 109.325 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -86.69 164.24 16.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.538 1.135 . . . . 10.0 111.63 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -49.61 -45.22 47.87 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 123.798 0.839 . . . . 10.0 111.413 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.76 -46.8 71.04 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.222 0.464 . . . . 10.0 111.122 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.89 -48.77 77.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -53.39 -50.28 65.47 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 10.0 110.316 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.6 m -54.1 -49.79 68.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.512 1.525 . . . . 10.0 110.553 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.56 -52.38 65.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -52.99 -48.99 67.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.368 0.667 . . . . 10.0 110.423 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.06 -50.38 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.633 -0.667 . . . . 10.0 110.905 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . 0.303 0.5 OUTLIER -64.68 -26.69 68.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 120.179 1.354 . . . . 10.0 113.423 176.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -62.52 -45.47 92.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 119.425 1.012 . . . . 10.0 109.179 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.57 -54.24 48.22 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.933 -0.479 . . . . 10.0 110.6 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.99 -54.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.276 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.75 -35.24 79.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.128 0.876 . . . . 10.0 111.986 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.25 86.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.321 0.509 . . . . 10.0 111.405 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.75 -60.38 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.524 0.678 . . . . 10.0 109.277 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.12 98.83 20.52 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 127.435 2.294 . . . . 10.0 108.283 -169.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.72 85.01 0.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.939 2.426 . . . . 10.0 110.034 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 m -67.88 124.63 89.93 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 124.988 1.315 . . . . 10.0 111.422 -169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.67 -51.09 11.92 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 125.022 3.815 . . . . 10.0 116.207 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.89 142.94 17.1 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 117.801 -1.095 . . . . 10.0 110.685 -169.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.06 -43.91 9.59 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.72 2.946 . . . . 10.0 114.013 170.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -34.49 58.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.614 -0.679 . . . . 10.0 111.946 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -26.3 61.13 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.105 0.562 . . . . 10.0 111.48 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.62 -17.74 35.87 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.05 -22.89 67.04 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.68 0.673 . . . . 10.0 112.241 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.64 135.99 57.17 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.047 0.84 . . . . 10.0 110.927 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -50.96 69.55 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.645 0.778 . . . . 10.0 112.659 -177.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.7 -45.32 94.66 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.819 -0.551 . . . . 10.0 109.545 -178.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 40.6 tpp -59.2 -44.47 92.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.278 -0.264 . . . . 10.0 110.671 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.62 -39.97 78.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.147 0.885 . . . . 10.0 110.491 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -41.56 96.86 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.725 -0.609 . . . . 10.0 110.855 173.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.01 -43.09 88.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.829 0.452 . . . . 10.0 110.319 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -55.03 -50.22 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 124.11 0.964 . . . . 10.0 109.075 171.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.24 78.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.085 0.402 . . . . 10.0 111.051 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.19 -49.64 68.9 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.014 -0.429 . . . . 10.0 110.819 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.44 96.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.057 -0.402 . . . . 10.0 110.933 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -55.8 -50.91 69.22 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.005 -0.435 . . . . 10.0 110.04 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -54.05 -55.18 29.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.183 0.593 . . . . 10.0 110.438 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -44.01 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 119.115 -0.469 . . . . 10.0 110.995 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.3 -47.04 69.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.32 0.964 . . . . 10.0 110.701 171.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.74 -52.64 40.97 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.43 -0.668 . . . . 10.0 111.43 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -51.87 -49.62 62.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.308 0.643 . . . . 10.0 110.456 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 mmt -59.93 -46.76 88.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.27 -0.395 . . . . 10.0 111.297 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -53.33 -51.56 62.01 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.055 0.542 . . . . 10.0 110.229 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -61.56 -43.63 98.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.216 0.606 . . . . 10.0 111.072 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 m -64.97 -41.65 95.26 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.283 0.563 . . . . 10.0 112.152 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 99.63 6.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.165 0.986 . . . . 10.0 112.891 -169.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 47.73 0.84 Allowed 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.449 -1.407 . . . . 10.0 110.91 170.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t 173.34 145.85 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.665 1.986 . . . . 10.0 108.8 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.79 -39.85 93.14 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.013 0.525 . . . . 10.0 110.541 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.0 -44.19 97.78 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.61 -50.32 73.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -50.22 -50.08 50.79 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.914 0.886 . . . . 10.0 111.049 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.44 -54.18 48.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.043 -0.411 . . . . 10.0 110.851 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -54.52 -60.39 3.42 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -176.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.345 0.4 OUTLIER -66.45 -30.77 71.2 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.389 -0.819 . . . . 10.0 112.769 -176.036 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.34 -46.89 75.26 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.796 1.18 . . . . 10.0 110.765 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.19 81.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.856 -0.528 . . . . 10.0 109.971 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -57.88 -49.59 76.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.444 0.697 . . . . 10.0 110.448 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -53.22 -50.79 63.99 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.425 ' CD1' HD23 ' B' ' 99' ' ' LEU . 23.5 mt -55.19 -46.91 77.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.003 0.521 . . . . 10.0 111.669 174.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.59 -57.7 10.39 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.767 0.827 . . . . 10.0 109.058 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -53.51 -52.91 58.08 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.973 -0.537 . . . . 10.0 111.207 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.0 mt -47.79 -63.37 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -53.1 -44.44 67.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.992 -0.528 . . . . 10.0 111.054 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -56.97 12.75 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.112 0.869 . . . . 10.0 111.64 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 123.686 0.794 . . . . 10.0 111.22 179.076 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -54.35 -50.85 66.49 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.833 0.853 . . . . 10.0 112.072 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -42.62 97.77 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.749 0.82 . . . . 10.0 109.507 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.77 -54.29 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.58 -50.14 68.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.124 -0.36 . . . . 10.0 110.425 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -54.05 -47.04 72.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.492 0.317 . . . . 10.0 110.422 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.52 -51.16 71.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.448 0.567 . . . . 10.0 111.031 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.06 -50.2 67.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.244 0.545 . . . . 10.0 109.891 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.03 -40.13 92.44 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.722 1.209 . . . . 10.0 111.974 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.08 -44.43 64.36 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.221 1.008 . . . . 10.0 111.845 -172.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 72' ' ' ILE . 1.6 tm? -66.53 -48.32 70.1 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 121.813 -0.554 . . . . 10.0 110.122 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 42.9 mtt -53.48 -43.98 68.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.497 0.665 . . . . 10.0 109.881 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -60.41 -8.71 2.86 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.11 1.364 . . . . 10.0 113.972 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 71.9 m -49.41 -47.79 47.67 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 121.539 1.972 . . . . 10.0 111.958 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.96 -37.17 78.8 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.525 -0.735 . . . . 10.0 111.167 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.9 t30 . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 123.054 0.542 . . . . 10.0 110.45 173.289 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 111.734 0.272 . . . . 10.0 111.734 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.96 -61.92 3.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.065 -1.214 . . . . 10.0 110.065 -170.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -65.91 -31.49 72.45 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.382 0.673 . . . . 10.0 111.841 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -38.61 -55.19 1.47 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.315 1.846 . . . . 10.0 112.574 -172.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.94 -25.17 68.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.797 1.239 . . . . 10.0 112.873 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.45 -19.4 62.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.887 0.475 . . . . 10.0 110.725 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.0 t -102.48 102.93 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -67.68 161.33 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.315 0.646 . . . . 10.0 111.848 -174.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -53.34 -43.32 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.489 170.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.97 -45.66 91.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.231 -0.414 . . . . 10.0 110.655 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.16 -45.45 93.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.01 0.823 . . . . 10.0 111.021 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -53.44 -49.36 67.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.499 -0.75 . . . . 10.0 109.706 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -56.44 -48.11 77.69 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.035 0.934 . . . . 10.0 111.545 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.13 -44.41 94.94 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.347 1.059 . . . . 10.0 109.914 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.93 -47.44 80.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.739 -0.601 . . . . 10.0 110.428 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -49.84 -51.34 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 118.906 0.776 . . . . 10.0 110.404 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -53.07 -52.21 59.29 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.765 -0.585 . . . . 10.0 110.628 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -52.97 -42.1 65.19 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.754 0.707 . . . . 10.0 112.055 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.44 -52.19 66.37 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.44 1.018 . . . . 10.0 109.561 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.6 t -53.88 -50.86 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.727 -0.654 . . . . 10.0 110.025 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -58.48 -47.16 84.97 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.734 0.697 . . . . 10.0 112.002 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.52 98.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.573 0.749 . . . . 10.0 110.408 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.24 -62.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.619 -0.882 . . . . 10.0 108.619 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -130.55 98.88 19.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 127.256 2.222 . . . . 10.0 109.868 -169.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.23 107.34 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 121.678 1.585 . . . . 10.0 109.945 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -68.32 137.84 91.54 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-O 118.911 -0.566 . . . . 10.0 110.273 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.68 -38.81 37.53 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.21 2.606 . . . . 10.0 112.764 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -151.06 138.06 11.78 Favored Pre-proline 0 N--CA 1.452 -0.345 0 N-CA-C 107.442 -1.318 . . . . 10.0 107.442 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -45.69 -39.75 18.37 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.244 2.629 . . . . 10.0 112.963 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.92 18.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.421 0.688 . . . . 10.0 112.736 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.48 -13.36 62.09 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.784 0.833 . . . . 10.0 112.579 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.6 mt -54.93 -37.48 66.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.123 0.874 . . . . 10.0 112.083 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -78.92 56.52 1.96 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.737 -0.602 . . . . 10.0 111.571 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -126.89 145.45 50.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.174 1.39 . . . . 10.0 110.095 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -50.45 -42.53 54.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.009 1.324 . . . . 10.0 112.173 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.64 -56.54 6.22 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.5 mmm -51.44 -38.31 53.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.373 1.069 . . . . 10.0 112.713 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -43.64 -36.36 2.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.182 0.993 . . . . 10.0 112.733 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.36 -48.74 71.91 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.864 -0.523 . . . . 10.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.49 -43.86 96.04 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -54.8 -52.57 41.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.337 0.655 . . . . 10.0 109.69 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.9 -50.94 69.3 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.255 0.622 . . . . 10.0 110.897 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -54.4 -51.7 64.06 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 122.632 0.373 . . . . 10.0 110.488 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.55 82.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.219 0.608 . . . . 10.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.51 -53.24 59.79 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.309 0.504 . . . . 10.0 110.319 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -52.31 -55.06 23.95 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.37 0.668 . . . . 10.0 110.943 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.88 -46.57 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 122.916 0.487 . . . . 10.0 110.664 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.37 -47.57 81.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 119.152 0.887 . . . . 10.0 110.247 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.59 -55.8 20.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.565 -1.014 . . . . 10.0 110.565 174.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -49.99 -51.5 41.18 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.415 0.686 . . . . 10.0 110.997 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.7 mmt -61.83 -42.61 99.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.055 -0.497 . . . . 10.0 111.387 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -56.26 -48.76 75.92 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.693 0.678 . . . . 10.0 110.14 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -64.11 -35.48 80.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.363 0.665 . . . . 10.0 112.404 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.8 m -78.43 -46.74 19.05 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 117.17 4.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.181 1.392 . . . . 10.0 114.279 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 p30 -72.88 -8.26 54.77 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.508 1.123 . . . . 10.0 113.367 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -158.4 152.62 24.12 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.967 -1.124 . . . . 10.0 107.967 -174.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.1 -40.75 74.15 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.426 0.69 . . . . 10.0 110.09 170.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.58 -47.89 80.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.379 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -58.77 -52.6 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 176.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -47.08 -52.11 16.03 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.737 1.215 . . . . 10.0 111.551 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.93 -54.27 48.12 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.786 -0.571 . . . . 10.0 111.264 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -52.12 -62.66 1.5 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.253 0.621 . . . . 10.0 112.155 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.323 0.4 OUTLIER -65.68 -28.49 69.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.508 -0.758 . . . . 10.0 112.625 -175.708 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.36 -56.01 19.8 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 120.024 1.284 . . . . 10.0 110.183 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.8 70.44 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.291 -0.256 . . . . 10.0 110.584 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.08 -46.14 85.96 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.165 0.586 . . . . 10.0 110.949 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.94 -51.22 70.03 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.579 -0.701 . . . . 10.0 110.28 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.37 -54.39 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -50.05 -55.07 16.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 10.0 109.572 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -57.5 -52.11 66.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.258 0.623 . . . . 10.0 111.826 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.5 mt -50.0 -52.87 12.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -56.31 -58.5 7.71 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.505 0.593 . . . . 10.0 111.337 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -48.51 -49.48 35.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.733 0.813 . . . . 10.0 112.31 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 123.87 0.868 . . . . 10.0 111.32 -174.514 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 121.288 0.566 . . . . 10.0 110.55 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -47.81 -52.73 17.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.922 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -53.87 -56.58 16.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.51 1.524 . . . . 10.0 108.202 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -49.56 -53.16 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 122.996 0.519 . . . . 10.0 109.832 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -65.14 -58.19 6.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.635 -0.698 . . . . 10.0 111.777 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.69 -42.74 71.79 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.499 1.045 . . . . 10.0 110.825 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.21 -49.98 73.6 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.89 0.876 . . . . 10.0 111.124 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.22 -54.86 40.77 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.491 0.662 . . . . 10.0 109.663 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.94 -38.93 80.13 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.44 1.096 . . . . 10.0 111.669 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 57.8 tp -48.02 -50.98 25.86 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.435 0.694 . . . . 10.0 110.496 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.49 -53.26 20.02 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 26.0 mmt -48.29 -42.56 31.22 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.696 -0.627 . . . . 10.0 112.499 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.7 p -56.43 -23.88 41.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.889 0.876 . . . . 10.0 113.309 -175.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.9 m -51.51 -35.4 40.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.863 -0.589 . . . . 10.0 112.192 -173.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.1 -53.67 55.71 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.315 0.961 . . . . 10.0 111.091 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 O-C-N 121.89 -0.506 . . . . 10.0 109.648 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tptp . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 120.462 0.172 . . . . 10.0 110.943 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.52 -73.36 0.77 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -52.67 -24.85 9.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.763 1.225 . . . . 10.0 111.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -34.25 -44.85 0.2 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.251 1.82 . . . . 10.0 111.293 169.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.75 -33.69 10.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.852 1.261 . . . . 10.0 113.429 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -75.05 -18.39 60.32 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.584 1.154 . . . . 10.0 112.379 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.63 130.16 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.461 0.705 . . . . 10.0 111.875 -169.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -88.05 158.41 18.61 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.092 0.957 . . . . 10.0 111.123 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -57.77 -42.6 84.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.913 0.885 . . . . 10.0 108.97 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.04 -49.32 71.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.126 0.971 . . . . 10.0 110.173 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.7 -48.06 83.19 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.974 -0.536 . . . . 10.0 110.915 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -52.58 -50.6 62.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.48 1.036 . . . . 10.0 110.594 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.2 m -55.08 -52.2 63.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.116 0.966 . . . . 10.0 110.964 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -66.4 -31.34 72.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.726 0.811 . . . . 10.0 110.656 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -67.63 -50.78 56.37 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.924 -1.11 . . . . 10.0 110.383 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.51 -50.7 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 171.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -49.04 -51.63 30.04 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.555 -0.735 . . . . 10.0 110.835 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -40.48 72.98 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 119.088 0.858 . . . . 10.0 110.099 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 72' ' ' ILE . 23.5 mt -55.82 -58.16 9.01 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 174.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -54.32 -63.14 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -38.43 -50.18 1.5 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.697 2.799 . . . . 10.0 112.494 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.75 -54.08 18.13 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 122.035 -0.416 . . . . 10.0 110.671 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.88 -39.57 82.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 122.827 0.451 . . . . 10.0 110.48 -176.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -151.94 103.02 2.83 Favored Pre-proline 0 N--CA 1.449 -0.501 0 C-N-CA 127.359 2.264 . . . . 10.0 107.796 -169.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.3 125.11 12.97 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.549 1.499 . . . . 10.0 110.802 -173.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 p -69.9 118.94 68.08 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.698 1.199 . . . . 10.0 110.161 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.74 -43.38 59.73 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.659 2.239 . . . . 10.0 112.468 173.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -162.85 147.04 9.05 Favored Pre-proline 0 CA--C 1.53 0.183 0 N-CA-C 106.797 -1.557 . . . . 10.0 106.797 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.03 -44.54 14.96 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.819 2.346 . . . . 10.0 113.393 172.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.63 -31.48 62.34 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.614 -0.679 . . . . 10.0 112.18 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.57 -25.41 59.95 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.978 -0.451 . . . . 10.0 111.474 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.65 -18.65 32.46 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.43 0.559 . . . . 10.0 112.36 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -66.29 -21.05 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.641 0.655 . . . . 10.0 112.299 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.7 149.43 39.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.889 0.768 . . . . 10.0 110.912 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -63.63 -51.68 64.14 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.189 0.596 . . . . 10.0 112.207 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -59.78 -44.77 93.74 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -57.14 -53.05 62.45 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.791 -0.623 . . . . 10.0 110.511 174.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.13 -40.85 67.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.227 0.921 . . . . 10.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -62.25 -46.18 90.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.826 -0.546 . . . . 10.0 110.902 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.3 -38.99 93.02 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.436 -0.79 . . . . 10.0 110.973 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.32 -48.84 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.254 1.422 . . . . 10.0 109.086 172.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.75 80.27 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.951 -0.468 . . . . 10.0 110.543 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.71 -50.75 67.55 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.386 -0.196 . . . . 10.0 110.476 174.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.9 -47.88 76.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.924 0.489 . . . . 10.0 111.187 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.18 -53.06 61.63 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.197 0.599 . . . . 10.0 110.52 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -52.6 -56.78 12.92 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.483 0.713 . . . . 10.0 110.332 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -42.65 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -57.39 -48.15 79.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.97 0.804 . . . . 10.0 110.207 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.56 -50.35 57.51 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.457 -0.657 . . . . 10.0 111.457 174.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.62 -50.85 64.81 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.164 -0.609 . . . . 10.0 110.658 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.12 -41.58 96.95 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 119.413 -0.327 . . . . 10.0 111.122 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.0 -51.24 64.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.975 0.51 . . . . 10.0 110.415 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -63.29 -40.33 97.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.085 0.554 . . . . 10.0 111.125 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 m -67.72 -42.92 81.15 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.926 -0.484 . . . . 10.0 112.186 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.25 121.01 19.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.715 1.206 . . . . 10.0 111.905 -169.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.68 22.85 5.87 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.679 -0.638 . . . . 10.0 110.373 173.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 t -165.63 148.97 7.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -53.31 -46.28 69.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.145 0.978 . . . . 10.0 109.278 169.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.24 -42.25 98.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.072 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.28 -53.44 57.65 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -46.53 -51.31 15.73 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.574 1.15 . . . . 10.0 111.325 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -56.05 -56.97 14.38 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.774 -0.579 . . . . 10.0 111.353 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.73 -58.19 8.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.325 0.4 OUTLIER -66.38 -28.02 68.32 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.643 -0.661 . . . . 10.0 112.169 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.18 -52.65 57.94 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 119.762 1.164 . . . . 10.0 110.387 169.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.16 -47.74 71.62 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.369 . . . . 10.0 110.593 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -57.58 -49.41 76.48 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.006 0.523 . . . . 10.0 110.787 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -54.64 -50.72 67.46 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.886 -0.509 . . . . 10.0 110.296 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.414 HD11 HD23 ' A' ' 22' ' ' LEU . 96.7 mt -53.2 -51.07 42.98 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 175.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -55.5 16.21 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.629 0.772 . . . . 10.0 109.409 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -56.89 -50.08 73.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.006 -0.521 . . . . 10.0 111.808 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.03 -53.54 10.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.979 0.809 . . . . 10.0 109.57 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.67 -48.66 80.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.103 0.41 . . . . 10.0 110.525 -176.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -57.22 -55.84 29.57 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.787 0.435 . . . . 10.0 111.85 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 123.528 0.731 . . . . 10.0 111.635 -175.279 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 121.614 0.721 . . . . 10.0 111.333 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -61.54 -36.07 79.54 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.304 -0.862 . . . . 10.0 111.277 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -50.88 61.39 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.28 -51.47 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -66.18 -49.0 68.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 119.032 -0.509 . . . . 10.0 111.488 -173.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.16 -42.53 95.13 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.826 0.739 . . . . 10.0 110.015 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.13 -53.45 57.9 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.652 0.381 . . . . 10.0 110.501 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.62 -48.09 80.38 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.948 0.499 . . . . 10.0 110.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.86 -38.06 89.72 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.421 1.089 . . . . 10.0 112.109 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.4 -54.34 14.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.07 0.948 . . . . 10.0 110.644 -174.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -53.4 49.19 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 18.5 mmt -42.17 -48.52 4.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.678 1.191 . . . . 10.0 111.339 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.7 p -69.55 -9.45 54.03 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.36 1.245 . . . . 10.0 114.36 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.4 m -46.85 -55.64 7.63 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.801 1.037 . . . . 10.0 113.801 -169.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.09 -40.95 77.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.685 1.584 . . . . 10.0 112.221 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m120 . . . . . 0 C--N 1.333 -0.148 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 179.61 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 112.859 0.689 . . . . 10.0 112.859 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.34 -69.67 1.36 Allowed Glycine 0 CA--C 1.526 0.759 0 O-C-N 120.66 -1.275 . . . . 10.0 110.378 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -53.07 -35.97 60.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.09 0.956 . . . . 10.0 111.807 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -39.36 -39.57 0.68 Allowed 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.683 1.593 . . . . 10.0 112.548 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -49.94 -35.06 22.59 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.171 0.988 . . . . 10.0 113.276 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -104.27 15.44 28.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.16 88.46 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 124.063 0.945 . . . . 10.0 108.517 172.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 p -87.97 163.31 16.39 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.903 1.681 . . . . 10.0 111.916 -171.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -43.15 -43.92 4.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.04 1.736 . . . . 10.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.92 -44.58 89.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.772 -0.58 . . . . 10.0 111.448 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.78 -45.05 91.47 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -53.61 -46.58 70.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.008 -0.433 . . . . 10.0 110.501 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -58.05 -50.15 74.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.842 0.857 . . . . 10.0 111.194 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -63.9 -36.93 85.55 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.833 -0.542 . . . . 10.0 110.467 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.43 -48.31 78.31 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.075 -1.015 . . . . 10.0 110.77 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.92 -49.06 28.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.685 0.675 . . . . 10.0 109.854 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -54.09 -50.65 66.34 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.035 -0.507 . . . . 10.0 110.653 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.67 -43.72 72.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.866 0.757 . . . . 10.0 111.305 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.0 mt -54.07 -54.74 35.26 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.228 0.922 . . . . 10.0 109.68 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.27 -53.84 17.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 CA-C-O 118.368 -0.825 . . . . 10.0 109.653 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -55.81 -51.81 66.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.037 0.835 . . . . 10.0 111.682 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.34 88.82 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.254 0.622 . . . . 10.0 111.233 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.25 -39.95 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 122.626 0.37 . . . . 10.0 110.458 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -155.17 99.83 2.32 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.578 1.551 . . . . 10.0 110.368 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.84 119.57 6.62 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.6 1.533 . . . . 10.0 109.582 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p -75.66 121.05 84.32 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 117.743 -1.123 . . . . 10.0 110.682 -170.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.52 -41.36 60.83 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.047 2.498 . . . . 10.0 113.196 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -158.56 139.29 9.26 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 117.513 -1.232 . . . . 10.0 107.895 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -43.29 -44.03 10.25 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.359 2.706 . . . . 10.0 113.452 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.8 50.35 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.701 -0.624 . . . . 10.0 112.115 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -25.63 39.02 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.746 0.818 . . . . 10.0 111.981 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -55.37 -19.28 8.51 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -59.09 -29.05 67.06 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.773 0.715 . . . . 10.0 112.693 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.48 136.63 54.92 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.582 -0.699 . . . . 10.0 110.775 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -46.27 18.11 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.6 1.16 . . . . 10.0 112.759 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -58.97 -46.46 88.03 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.0 mmm -64.1 -47.48 79.88 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 118.805 -0.617 . . . . 10.0 109.944 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.47 -44.05 65.33 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.132 0.878 . . . . 10.0 110.812 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.34 -45.61 92.43 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.984 -0.447 . . . . 10.0 111.028 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.96 -43.79 97.83 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.491 -0.755 . . . . 10.0 110.94 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.5 -51.24 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 125.341 1.457 . . . . 10.0 108.797 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.95 73.86 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.532 0.333 . . . . 10.0 110.727 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -54.95 -49.81 70.43 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.078 0.399 . . . . 10.0 110.825 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.76 -46.47 87.39 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.892 0.477 . . . . 10.0 111.013 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.21 -53.53 56.05 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.9 0.48 . . . . 10.0 110.516 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.42 -51.91 61.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.417 0.687 . . . . 10.0 110.72 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -44.23 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 119.356 -0.354 . . . . 10.0 110.554 -176.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -54.4 -46.15 73.05 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.946 0.794 . . . . 10.0 110.232 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.22 -55.21 22.86 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.759 -0.936 . . . . 10.0 110.759 173.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.25 -49.51 61.02 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.218 0.607 . . . . 10.0 110.842 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mmt -61.85 -46.98 87.09 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.339 -0.226 . . . . 10.0 111.296 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.54 -43.16 75.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.094 0.958 . . . . 10.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.72 -46.77 71.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.83 0.852 . . . . 10.0 111.689 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -69.04 -41.56 77.5 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 113.18 3.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -169.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -57.09 -30.93 64.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.029 1.332 . . . . 10.0 113.207 171.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 p -143.99 163.46 33.41 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.185 0.994 . . . . 10.0 110.028 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -56.83 -44.71 82.34 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.39 -55.54 18.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.92 0.888 . . . . 10.0 110.193 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -54.9 -51.32 66.38 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -51.67 -51.66 54.11 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.115 0.966 . . . . 10.0 111.767 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -60.25 -48.8 80.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.992 -0.442 . . . . 10.0 110.631 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -54.52 -62.34 1.72 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.271 -0.395 . . . . 10.0 111.925 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.86 -30.14 70.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.275 0.943 . . . . 10.0 112.988 -175.213 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.2 mt -64.62 -55.06 22.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.069 1.304 . . . . 10.0 110.749 171.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.71 78.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.104 -0.372 . . . . 10.0 110.165 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.74 -45.91 92.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.687 0.795 . . . . 10.0 110.886 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -53.23 -52.58 58.48 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.701 0.682 . . . . 10.0 109.895 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.0 mt -53.51 -54.83 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.882 0.373 . . . . 10.0 110.445 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.83 -53.6 18.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.881 1.672 . . . . 10.0 109.474 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -55.93 -54.08 49.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.602 -0.714 . . . . 10.0 111.102 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.97 -58.84 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 119.001 0.818 . . . . 10.0 109.736 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -52.17 -59.07 4.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.884 0.311 . . . . 10.0 111.142 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -49.52 73.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.84 1.256 . . . . 10.0 111.638 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.66 0.743 . . . . 10.0 110.911 178.479 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 120.585 0.231 . . . . 10.0 111.384 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -52.09 -36.17 50.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.437 0.695 . . . . 10.0 111.366 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.86 -40.88 4.76 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.666 1.186 . . . . 10.0 111.894 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.1 mm -53.43 -53.16 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.145 0.978 . . . . 10.0 110.208 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -49.11 40.68 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 -169.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.91 -38.72 76.37 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.692 -0.194 . . . . 10.0 110.825 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.22 -51.8 67.46 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.357 0.663 . . . . 10.0 110.806 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.97 -55.0 35.62 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.508 0.67 . . . . 10.0 109.95 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.74 -42.28 78.99 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.826 0.85 . . . . 10.0 111.908 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.04 -52.01 37.68 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 123.966 0.906 . . . . 10.0 110.31 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.65 -54.83 16.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 62.3 mtt -51.58 -36.54 45.81 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 40.6 m -69.51 -13.32 62.28 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 14.5 m -51.32 -48.31 62.41 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.561 1.528 . . . . 10.0 111.685 -175.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -60.96 -42.95 99.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.024 -0.423 . . . . 10.0 111.529 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.227 -0.12 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 177.061 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 107.279 -1.378 . . . . 10.0 107.279 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.67 30.93 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 118.915 0.779 . . . . 10.0 111.352 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -60.48 -20.94 61.7 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.864 0.865 . . . . 10.0 112.989 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -55.83 -32.79 63.9 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.776 0.83 . . . . 10.0 111.511 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -38.33 -37.69 0.31 Allowed 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.575 1.55 . . . . 10.0 112.788 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -106.63 5.61 29.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.993 1.109 . . . . 10.0 113.993 -171.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.96 111.68 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 119.318 0.963 . . . . 10.0 110.311 -174.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.6 p -78.74 163.5 25.34 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 122.239 1.019 . . . . 10.0 112.376 -174.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -60.75 -43.78 97.55 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.704 -1.135 . . . . 10.0 109.741 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.57 -48.52 69.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 10.0 110.398 174.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.84 -52.19 66.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 119.249 -0.405 . . . . 10.0 110.982 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -51.63 -47.96 63.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.077 0.853 . . . . 10.0 111.682 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -61.43 -45.3 94.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.159 0.984 . . . . 10.0 110.845 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -69.89 -33.15 71.83 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.514 -0.742 . . . . 10.0 110.333 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.64 -47.34 84.17 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.389 -1.444 . . . . 10.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.36 -47.51 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.17 -48.72 67.78 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.67 -0.644 . . . . 10.0 111.869 174.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -55.83 -45.5 78.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.899 -0.572 . . . . 10.0 111.048 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.32 -52.79 60.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.801 0.728 . . . . 10.0 109.757 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.2 t -52.57 -50.28 40.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 117.995 -1.002 . . . . 10.0 109.927 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -59.85 -47.87 83.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 10.0 111.154 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.09 -36.74 84.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.427 0.691 . . . . 10.0 111.415 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.16 -37.72 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.464 0.706 . . . . 10.0 110.769 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -156.51 91.22 2.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 126.34 1.856 . . . . 10.0 110.517 -168.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.42 114.8 1.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.815 2.343 . . . . 10.0 110.893 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -83.1 131.22 54.32 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 -171.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.71 -40.9 9.09 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.51 2.14 . . . . 10.0 112.126 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -155.78 140.23 11.81 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-O 117.595 -1.193 . . . . 10.0 108.285 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -42.61 -45.63 8.35 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.459 2.773 . . . . 10.0 113.802 172.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.4 -32.39 57.08 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 10.0 112.211 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.53 -24.86 61.62 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.128 0.571 . . . . 10.0 111.592 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.76 -20.9 24.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.421 0.555 . . . . 10.0 112.214 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -66.25 -19.48 65.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.13 149.56 47.46 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 0.801 . . . . 10.0 111.023 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.93 77.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.095 0.558 . . . . 10.0 111.849 -174.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -63.73 -46.6 84.65 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 79.2 mmm -53.49 -53.39 52.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 119.33 -0.367 . . . . 10.0 110.298 171.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.03 -40.91 64.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.561 0.744 . . . . 10.0 111.396 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -60.72 -47.55 85.76 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.837 -0.54 . . . . 10.0 110.891 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.74 -43.34 99.07 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.529 -0.732 . . . . 10.0 110.708 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.56 -49.94 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.5 1.12 . . . . 10.0 109.238 174.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.41 77.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.708 0.403 . . . . 10.0 110.927 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.38 -49.33 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.132 -0.355 . . . . 10.0 110.858 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.64 90.55 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.89 0.476 . . . . 10.0 111.022 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -56.12 -52.57 63.87 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.943 0.497 . . . . 10.0 110.244 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -53.22 -55.84 21.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.268 0.627 . . . . 10.0 110.377 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -45.63 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 119.324 -0.37 . . . . 10.0 110.612 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.09 -45.45 75.42 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.092 0.86 . . . . 10.0 110.743 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.78 -54.08 32.75 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -51.77 -49.52 62.48 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.381 0.672 . . . . 10.0 110.682 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 19.8 mmt -60.4 -43.82 96.3 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.188 -0.435 . . . . 10.0 110.97 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.13 -50.97 67.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.31 0.505 . . . . 10.0 110.153 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -64.25 -37.14 86.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.075 0.55 . . . . 10.0 111.68 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 m -68.2 -41.03 81.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.611 0.72 . . . . 10.0 111.851 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.29 103.27 1.56 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.433 1.093 . . . . 10.0 112.974 -169.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.42 -23.14 62.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.88 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -144.57 167.53 22.3 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.767 0.827 . . . . 10.0 110.093 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.02 -46.55 88.71 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.555 1.542 . . . . 10.0 110.26 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -48.25 -53.33 17.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.988 0.515 . . . . 10.0 110.875 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -57.15 -52.05 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.014 -0.517 . . . . 10.0 110.029 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -46.29 -51.13 15.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.273 0.629 . . . . 10.0 112.077 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -64.18 -49.77 70.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.97 -0.456 . . . . 10.0 111.206 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.72 -60.47 3.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -66.23 -30.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.985 0.811 . . . . 10.0 112.831 -174.207 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 mt -65.31 -51.99 57.0 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.553 1.069 . . . . 10.0 110.74 172.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.14 83.41 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.76 -0.588 . . . . 10.0 110.412 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.12 -49.15 76.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.765 0.826 . . . . 10.0 110.372 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -52.07 -53.01 47.5 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.325 0.65 . . . . 10.0 110.211 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.91 -52.65 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.193 0.521 . . . . 10.0 111.019 175.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.48 -51.57 64.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.225 1.01 . . . . 10.0 109.292 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -56.64 -50.44 72.05 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-O 118.434 -0.793 . . . . 10.0 111.432 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.12 -58.96 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 119.29 0.95 . . . . 10.0 109.461 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -53.46 -55.18 27.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.507 0.594 . . . . 10.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -55.35 -48.02 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 . . . . . 0 CA--C 1.533 0.294 0 C-N-CA 123.763 0.825 . . . . 10.0 110.817 -179.356 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 115.894 1.813 . . . . 10.0 115.894 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.01 -47.27 85.82 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.173 0.589 . . . . 10.0 110.845 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -59.9 -44.11 94.43 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.206 0.602 . . . . 10.0 110.023 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.27 -49.99 59.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -62.75 -46.77 86.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 119.477 -0.297 . . . . 10.0 110.792 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -55.84 -49.46 73.23 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.257 0.48 . . . . 10.0 111.205 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.23 -50.61 72.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.165 0.986 . . . . 10.0 110.141 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.94 -48.26 76.05 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.244 0.618 . . . . 10.0 109.896 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.27 -41.21 97.02 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.121 1.369 . . . . 10.0 112.092 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 tp -44.65 -48.54 10.54 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 125.319 1.448 . . . . 10.0 111.778 -173.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -39.57 84.92 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.05 -0.406 . . . . 10.0 110.63 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 28.7 mtt -73.99 -39.51 63.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.88 0.872 . . . . 10.0 110.632 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.2 p -51.11 -29.38 13.15 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.47 0.708 . . . . 10.0 112.714 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -37.84 -47.25 1.01 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.973 1.309 . . . . 10.0 111.841 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.82 -31.69 68.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.527 0.731 . . . . 10.0 111.986 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 . . . . . 0 CA--C 1.522 -0.123 0 C-N-CA 123.956 0.902 . . . . 10.0 109.659 177.6 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.89 49.87 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.675 -0.57 . . . . 10.0 111.675 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.43 -9.63 58.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.751 0.82 . . . . 10.0 112.822 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -50.4 -46.36 56.2 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.837 0.744 . . . . 10.0 109.779 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.83 -30.54 14.6 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.841 0.856 . . . . 10.0 112.601 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -78.76 -42.73 27.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.447 0.699 . . . . 10.0 110.453 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.39 89.64 1.94 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 123.419 0.688 . . . . 10.0 109.919 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.7 p -59.44 166.0 2.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.874 1.27 . . . . 10.0 112.261 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -58.2 -48.17 81.16 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.718 -1.128 . . . . 10.0 110.493 174.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.96 -47.63 77.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.361 0.664 . . . . 10.0 111.694 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.33 -48.82 79.6 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.765 1.166 . . . . 10.0 110.812 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -60.92 -34.91 75.42 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 120.829 -1.169 . . . . 10.0 111.879 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 m -58.44 -47.76 82.93 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.849 0.75 . . . . 10.0 111.067 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -62.22 -39.61 93.36 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.752 -0.593 . . . . 10.0 110.595 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.45 -47.14 80.19 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.215 -0.928 . . . . 10.0 110.92 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 t -48.5 -51.7 10.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 118.906 0.776 . . . . 10.0 109.883 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -51.41 -53.19 39.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.865 -0.588 . . . . 10.0 110.796 174.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -51.95 -43.24 63.41 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.981 0.81 . . . . 10.0 111.756 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.96 -53.62 54.7 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 118.971 0.805 . . . . 10.0 109.882 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -52.89 -52.61 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 118.823 -0.608 . . . . 10.0 109.754 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -54.51 -49.7 69.6 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.77 0.713 . . . . 10.0 111.613 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.43 87.48 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.392 0.677 . . . . 10.0 111.678 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.11 -43.48 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.342 0.657 . . . . 10.0 110.248 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -166.24 100.0 0.71 Allowed Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.195 1.398 . . . . 10.0 109.234 -169.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.72 127.24 20.44 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.69 2.927 . . . . 10.0 112.553 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -67.79 121.85 81.21 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 117.619 -1.181 . . . . 10.0 110.02 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.02 -42.87 50.94 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.981 2.454 . . . . 10.0 113.045 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -161.76 144.66 9.11 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -43.83 -45.18 11.41 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.112 2.541 . . . . 10.0 113.532 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.38 -34.54 58.06 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.708 -0.62 . . . . 10.0 112.072 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.02 -29.87 58.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.304 0.641 . . . . 10.0 111.425 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt -52.76 -24.81 9.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.413 0.685 . . . . 10.0 112.246 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.25 -17.79 63.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.116 0.784 . . . . 10.0 113.116 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -94.79 139.35 31.4 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.134 0.879 . . . . 10.0 111.72 -172.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -30.04 -53.74 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.323 2.249 . . . . 10.0 112.928 172.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 tpt85 -53.85 -41.39 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.698 1.199 . . . . 10.0 111.582 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -46.95 14.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.658 0.383 . . . . 10.0 110.719 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -48.29 -38.5 18.99 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.435 0.694 . . . . 10.0 111.929 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -56.18 -48.02 77.17 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 173.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 mp -69.71 -41.8 74.86 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.752 -0.592 . . . . 10.0 109.637 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.19 -51.53 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.53 57.23 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.143 0.977 . . . . 10.0 111.085 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.07 -49.21 66.85 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.68 0.392 . . . . 10.0 110.733 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.6 -47.25 86.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.244 0.617 . . . . 10.0 110.692 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -55.04 -52.99 61.45 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.184 0.447 . . . . 10.0 110.66 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -53.12 -55.79 21.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.417 0.687 . . . . 10.0 110.974 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.76 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 122.703 0.401 . . . . 10.0 110.619 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -56.61 -46.79 80.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 121.679 -0.638 . . . . 10.0 109.929 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -58.34 8.02 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -48.9 -51.28 30.84 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.108 0.563 . . . . 10.0 111.071 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.4 mmt -61.19 -43.84 98.24 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 119.229 -0.415 . . . . 10.0 111.773 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -57.99 -45.59 86.58 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.509 0.595 . . . . 10.0 110.246 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.7 -38.58 80.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.789 0.436 . . . . 10.0 111.308 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 m -72.73 -46.2 54.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.551 0.691 . . . . 10.0 112.342 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 115.84 5.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.739 1.215 . . . . 10.0 111.461 -169.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.81 20.37 3.55 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.625 -0.672 . . . . 10.0 110.875 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -167.69 150.48 5.9 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.084 1.354 . . . . 10.0 108.118 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -56.02 -41.57 75.15 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.607 0.763 . . . . 10.0 110.058 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.17 -49.49 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -57.07 -54.82 42.47 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -47.31 -51.98 17.71 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.334 1.054 . . . . 10.0 112.141 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -59.31 -53.57 56.75 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.595 -0.69 . . . . 10.0 110.823 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -52.26 -63.29 1.19 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.966 0.506 . . . . 10.0 112.287 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.302 0.3 OUTLIER -66.95 -25.31 66.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.546 -0.74 . . . . 10.0 112.14 -173.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 mt -65.78 -53.24 42.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 120.027 1.285 . . . . 10.0 110.54 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.12 -45.39 75.54 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.079 -0.388 . . . . 10.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.98 -42.4 98.3 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.836 0.454 . . . . 10.0 110.944 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.94 -52.35 66.14 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.497 -0.752 . . . . 10.0 110.3 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 95.9 mt -50.63 -54.91 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.103 0.478 . . . . 10.0 109.784 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -50.96 -52.86 38.32 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.053 0.941 . . . . 10.0 110.004 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -57.36 -51.07 70.9 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 118.2 -0.905 . . . . 10.0 111.073 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.6 -57.96 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 120.301 1.41 . . . . 10.0 109.199 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -51.69 -58.62 5.86 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.31 0.504 . . . . 10.0 111.21 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -57.11 -55.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.06 0.944 . . . . 10.0 112.465 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 . . . . . 0 C--N 1.328 -0.337 0 C-N-CA 124.126 0.97 . . . . 10.0 110.574 -179.019 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 113.487 0.921 . . . . 10.0 113.487 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.55 -41.34 98.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.528 0.331 . . . . 10.0 110.668 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.31 89.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.9 -53.18 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.289 0.636 . . . . 10.0 109.815 175.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -64.71 -51.05 64.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.067 -0.492 . . . . 10.0 111.336 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -52.46 -51.34 59.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.575 0.625 . . . . 10.0 110.332 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.05 -52.25 64.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.274 1.029 . . . . 10.0 110.846 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.49 -49.55 76.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.633 0.73 . . . . 10.0 109.978 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.25 -37.16 84.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.259 1.423 . . . . 10.0 111.445 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 tp -49.24 -53.31 22.17 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.135 0.974 . . . . 10.0 110.626 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.13 -52.42 55.36 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.5 mmt -47.65 -40.91 21.04 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.972 0.509 . . . . 10.0 112.098 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 61.5 m -61.58 -25.97 67.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.437 1.273 . . . . 10.0 114.437 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -42.66 -52.57 4.82 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.924 1.238 . . . . 10.0 113.545 -169.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -56.65 -35.89 68.88 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 123.373 0.669 . . . . 10.0 110.009 -179.879 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.74 -67.95 1.61 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 109.203 -1.559 . . . . 10.0 109.203 -169.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -71.38 -18.19 62.37 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.003 0.921 . . . . 10.0 112.411 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -45.56 -44.82 13.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.223 1.009 . . . . 10.0 110.472 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -38.71 -42.54 0.81 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 127.952 2.501 . . . . 10.0 112.842 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -89.09 -2.97 58.78 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.005 1.322 . . . . 10.0 111.933 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.56 89.9 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 123.965 0.906 . . . . 10.0 108.923 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 p -86.11 173.73 9.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.636 1.574 . . . . 10.0 111.038 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.71 -40.62 13.68 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.859 1.264 . . . . 10.0 111.7 176.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.11 -57.55 12.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.457 0.703 . . . . 10.0 109.58 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.45 -40.93 96.65 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.332 -0.366 . . . . 10.0 110.18 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -54.18 -50.1 67.81 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.18 0.9 . . . . 10.0 110.927 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 t -57.73 -51.88 67.74 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.241 0.616 . . . . 10.0 110.416 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -53.51 -44.51 69.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.717 0.807 . . . . 10.0 110.332 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.3 -47.52 76.31 Favored 'General case' 0 C--O 1.225 -0.221 0 O-C-N 121.61 -0.681 . . . . 10.0 111.368 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.7 t -53.24 -48.7 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 119.473 1.033 . . . . 10.0 110.268 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -52.28 -51.76 56.67 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.799 -0.563 . . . . 10.0 109.949 173.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.29 -36.33 73.16 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD11 ' A' ' 72' ' ' ILE . 90.0 mt -57.07 -54.14 50.12 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 120.111 1.323 . . . . 10.0 108.655 171.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.57 -51.38 43.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 118.074 -0.965 . . . . 10.0 109.741 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.47 -48.83 80.15 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 119.641 1.109 . . . . 10.0 112.271 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.77 84.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.617 -0.677 . . . . 10.0 111.238 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.39 -46.62 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 O-C-N 121.774 -0.579 . . . . 10.0 109.614 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -144.15 92.36 6.23 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 126.903 2.081 . . . . 10.0 110.346 -168.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -65.41 114.15 2.76 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.611 1.541 . . . . 10.0 109.226 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -79.55 120.0 78.8 Favored Pre-proline 0 N--CA 1.455 -0.22 0 CA-C-O 117.8 -1.095 . . . . 10.0 110.637 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.66 -40.23 55.88 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 123.167 2.578 . . . . 10.0 113.205 173.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.65 130.91 9.2 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.872 -1.061 . . . . 10.0 108.144 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.06 -42.15 12.7 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.765 2.977 . . . . 10.0 113.273 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.75 47.67 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.491 -0.756 . . . . 10.0 111.962 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -23.38 32.22 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 10.0 112.238 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.68 -25.15 3.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.497 0.719 . . . . 10.0 112.611 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -24.55 67.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.195 0.813 . . . . 10.0 113.195 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.37 137.02 57.22 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.441 -0.787 . . . . 10.0 110.848 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -40.62 -49.22 2.99 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.179 1.391 . . . . 10.0 113.321 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.64 -44.62 96.16 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.041 -0.412 . . . . 10.0 110.223 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.8 mmm -65.33 -45.41 84.38 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.029 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -53.85 -44.59 70.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.297 0.953 . . . . 10.0 110.529 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -58.35 -48.12 81.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 122.117 -0.364 . . . . 10.0 110.677 175.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.47 -40.01 94.89 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.515 0.326 . . . . 10.0 110.822 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.81 -51.28 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.575 1.55 . . . . 10.0 108.68 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.32 72.76 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.579 0.352 . . . . 10.0 110.684 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -53.78 -51.84 62.13 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 122.42 0.288 . . . . 10.0 110.497 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.89 88.1 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.87 0.868 . . . . 10.0 111.106 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.29 -53.72 54.93 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.228 0.467 . . . . 10.0 110.186 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -51.55 -55.56 18.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.536 0.734 . . . . 10.0 110.252 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -47.71 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.649 0.78 . . . . 10.0 110.757 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -55.01 -48.51 73.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.463 1.028 . . . . 10.0 110.521 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.76 42.21 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.205 -0.758 . . . . 10.0 111.205 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.61 -48.55 66.24 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.552 0.741 . . . . 10.0 110.822 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 mmt -62.97 -43.25 99.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.059 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.74 -43.7 76.85 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.332 0.515 . . . . 10.0 110.415 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.54 -44.54 82.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.135 0.574 . . . . 10.0 111.74 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 m -70.49 -42.43 71.38 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 117.15 11.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.134 0.974 . . . . 10.0 112.038 -169.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.56 1.05 31.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.846 -0.534 . . . . 10.0 111.633 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.9 p -153.51 157.36 39.68 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 120.97 -1.081 . . . . 10.0 109.897 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -62.78 -44.11 97.03 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.37 0.668 . . . . 10.0 110.53 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.19 81.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 118.998 -0.525 . . . . 10.0 111.06 173.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.06 -50.54 73.68 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.988 0.813 . . . . 10.0 109.341 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -49.78 -51.96 35.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.982 0.913 . . . . 10.0 111.696 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.59 -52.82 63.39 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.636 -0.665 . . . . 10.0 110.931 173.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -55.56 -62.7 1.51 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.8 0.44 . . . . 10.0 112.101 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.3 OUTLIER -64.1 -26.53 68.58 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.791 0.723 . . . . 10.0 112.364 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.25 -57.08 10.47 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.799 1.181 . . . . 10.0 110.29 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.92 69.06 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.149 -0.344 . . . . 10.0 110.763 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.13 -49.48 71.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.21 0.604 . . . . 10.0 110.419 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -55.28 -51.1 67.78 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 118.955 0.798 . . . . 10.0 110.547 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.459 HD11 HD23 ' A' ' 22' ' ' LEU . 90.1 mt -51.4 -55.06 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.643 0.656 . . . . 10.0 109.941 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -52.85 41.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.853 1.261 . . . . 10.0 109.109 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -56.91 -52.4 65.34 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 117.757 -1.116 . . . . 10.0 111.275 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.9 -56.14 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 120.708 1.594 . . . . 10.0 109.396 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -51.23 -57.32 9.12 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.951 0.157 . . . . 10.0 110.748 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -59.0 -53.25 60.52 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.932 0.715 . . . . 10.0 112.932 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 C-N-CA 125.41 1.484 . . . . 10.0 110.327 -177.546 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -67.93 -34.65 77.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.496 -0.775 . . . . 10.0 111.025 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.3 69.61 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 175.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.36 -54.32 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.366 0.667 . . . . 10.0 110.027 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -65.95 -46.51 77.9 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.319 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -56.72 -49.48 75.07 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.244 0.475 . . . . 10.0 110.034 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 tp -54.11 -52.9 59.55 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.295 0.638 . . . . 10.0 110.84 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.19 -54.7 43.91 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.527 0.679 . . . . 10.0 109.939 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.64 -42.07 78.27 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 125.423 1.489 . . . . 10.0 111.99 -174.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.41 -46.14 62.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.197 0.599 . . . . 10.0 111.155 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.54 -55.0 15.2 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 96.4 mmm -48.53 -39.68 24.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.418 0.687 . . . . 10.0 112.185 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.0 m -60.83 -15.98 36.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 49.2 m -52.87 -57.17 11.13 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.61 1.096 . . . . 10.0 111.878 -170.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.08 -46.54 65.23 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 119.13 0.877 . . . . 10.0 112.37 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 C--N 1.332 -0.176 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 177.629 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.48 -64.16 2.55 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 121.172 -0.955 . . . . 10.0 111.437 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -50.73 -31.49 16.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.591 1.156 . . . . 10.0 112.035 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -36.34 -43.43 0.37 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.482 1.913 . . . . 10.0 112.342 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -44.11 -40.42 4.91 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.967 1.707 . . . . 10.0 112.315 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -99.28 21.36 12.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.106 1.363 . . . . 10.0 111.617 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -143.13 92.98 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 124.804 1.242 . . . . 10.0 107.841 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -78.34 164.15 25.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.937 1.295 . . . . 10.0 111.777 -173.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.11 39.51 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.271 1.028 . . . . 10.0 110.262 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.31 -48.2 79.54 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.686 0.794 . . . . 10.0 111.157 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.1 tp -66.32 -44.2 84.05 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -51.66 -50.26 60.73 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.837 -0.539 . . . . 10.0 109.947 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -57.12 -47.56 80.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.002 1.321 . . . . 10.0 111.133 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.7 -45.76 91.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.114 0.565 . . . . 10.0 110.276 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.46 -45.95 88.45 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.209 0.603 . . . . 10.0 110.551 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.89 -49.65 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.608 -0.682 . . . . 10.0 109.819 171.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.33 -49.79 71.3 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.047 -0.353 . . . . 10.0 110.047 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -52.75 -43.93 66.1 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 118.651 -0.69 . . . . 10.0 112.021 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 72' ' ' ILE . 49.1 mt -55.27 -53.25 58.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 119.272 0.942 . . . . 10.0 109.897 175.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.1 t -54.41 -54.27 23.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.202 -0.904 . . . . 10.0 109.671 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -54.15 -48.18 71.15 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.606 1.094 . . . . 10.0 111.885 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.17 90.89 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.477 0.711 . . . . 10.0 110.782 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.85 -52.03 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.231 0.539 . . . . 10.0 109.893 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -146.38 98.4 4.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.727 2.411 . . . . 10.0 108.714 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -55.36 124.39 16.17 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.949 2.433 . . . . 10.0 111.157 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.1 p -85.59 122.88 73.24 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 117.79 -1.1 . . . . 10.0 109.942 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.79 -40.44 39.16 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.593 2.862 . . . . 10.0 114.697 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -157.62 142.56 12.09 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 117.628 -1.177 . . . . 10.0 108.764 -173.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.18 -45.54 9.61 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.467 2.778 . . . . 10.0 113.851 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.97 60.69 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.538 -0.726 . . . . 10.0 111.897 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.09 50.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.031 0.533 . . . . 10.0 111.621 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.0 mt -53.98 -25.21 19.72 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.678 0.672 . . . . 10.0 112.299 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -72.34 -19.24 61.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.97 132.9 55.38 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.996 0.816 . . . . 10.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -48.47 -54.01 15.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -56.03 -45.75 79.04 Favored 'General case' 0 CA--C 1.529 0.154 0 O-C-N 121.693 -0.63 . . . . 10.0 109.739 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 29.0 tpp -61.25 -43.64 98.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.898 -0.501 . . . . 10.0 111.474 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -56.03 -38.0 69.96 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.276 0.63 . . . . 10.0 110.604 173.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.28 -44.09 89.13 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.957 -0.464 . . . . 10.0 111.067 174.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.79 -48.11 82.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.994 0.815 . . . . 10.0 110.022 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -52.96 -50.61 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.914 0.886 . . . . 10.0 109.694 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.56 68.63 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.933 -0.479 . . . . 10.0 111.093 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -53.48 -49.95 66.39 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.741 0.417 . . . . 10.0 110.637 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -46.34 88.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.767 0.427 . . . . 10.0 110.847 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -56.12 -52.96 62.44 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -52.42 -56.11 17.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.372 0.669 . . . . 10.0 110.619 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -44.35 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 122.279 -0.263 . . . . 10.0 110.504 -174.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -57.65 -46.78 83.77 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.601 -0.687 . . . . 10.0 110.628 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.87 -50.89 52.72 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.09 -50.23 64.82 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.354 -0.498 . . . . 10.0 110.869 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -43.11 95.7 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 119.374 -0.346 . . . . 10.0 111.228 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.95 -44.95 67.47 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.908 0.883 . . . . 10.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.72 -32.82 41.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.0 m -70.57 -47.87 58.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.893 0.77 . . . . 10.0 111.723 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.97 125.66 25.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.202 1.001 . . . . 10.0 111.253 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.39 19.79 11.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.838 -0.539 . . . . 10.0 111.222 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -168.55 147.23 4.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 126.131 1.773 . . . . 10.0 107.954 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -53.3 -44.71 68.56 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.468 0.707 . . . . 10.0 110.348 173.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -49.85 -52.24 34.05 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.262 0.625 . . . . 10.0 111.284 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.17 -52.58 64.98 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -48.28 -50.38 30.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.651 0.78 . . . . 10.0 112.041 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.02 -55.84 29.93 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.604 -0.685 . . . . 10.0 110.936 172.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -53.94 -59.15 5.01 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -174.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.307 0.3 OUTLIER -67.09 -26.11 66.55 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.491 -0.766 . . . . 10.0 112.424 -177.146 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.63 -51.78 56.95 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 120.066 1.303 . . . . 10.0 109.705 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.49 -48.39 68.98 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.154 -0.341 . . . . 10.0 110.181 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -57.4 -46.94 82.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.094 -0.379 . . . . 10.0 110.953 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -55.47 -52.68 62.83 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.82 -0.55 . . . . 10.0 110.249 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.404 HD11 HD23 ' A' ' 22' ' ' LEU . 96.7 mt -50.67 -53.12 14.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-O 120.817 0.342 . . . . 10.0 110.113 174.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -55.63 19.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 10.0 109.382 -177.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -58.42 -50.05 75.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.485 -0.769 . . . . 10.0 111.591 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.7 mt -47.65 -60.55 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -51.07 -53.77 30.88 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.794 0.724 . . . . 10.0 111.813 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -57.39 -53.77 54.35 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 123.831 0.853 . . . . 10.0 110.922 179.126 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 121.101 0.477 . . . . 10.0 112.009 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.44 -39.18 86.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.176 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -51.25 64.75 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.76 -54.48 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.441 0.696 . . . . 10.0 110.007 175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.12 -47.69 73.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.195 -0.431 . . . . 10.0 111.26 -173.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -56.36 -48.32 77.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.39 0.541 . . . . 10.0 110.223 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.16 -50.76 70.26 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.176 0.99 . . . . 10.0 110.853 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.33 -53.54 56.45 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.502 0.668 . . . . 10.0 110.209 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.35 -43.59 79.26 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.616 1.566 . . . . 10.0 110.948 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.3 tp -45.87 -53.06 10.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.923 0.889 . . . . 10.0 110.703 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.48 -52.09 43.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.3 mmt -45.81 -43.15 13.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.069 0.548 . . . . 10.0 111.769 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 56.5 p -69.4 -10.64 58.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 28.2 m -50.83 -46.65 60.07 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.732 1.151 . . . . 10.0 111.962 -173.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.43 -45.46 80.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.751 0.705 . . . . 10.0 112.316 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.53 0.193 0 C-N-CA 123.691 0.796 . . . . 10.0 110.776 179.648 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 107.64 -1.244 . . . . 10.0 107.64 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.93 -39.6 40.66 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.434 0.561 . . . . 10.0 111.949 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -79.96 -9.96 59.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.773 0.829 . . . . 10.0 113.21 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -49.35 -42.66 42.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.808 0.843 . . . . 10.0 111.975 -173.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.54 -35.79 4.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.223 1.409 . . . . 10.0 113.335 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -70.47 -61.93 1.58 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 122.024 0.916 . . . . 10.0 110.137 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 64' ' ' TYR . 23.2 t -86.24 85.91 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.278 -169.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -71.32 162.33 29.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.747 -1.115 . . . . 10.0 111.767 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -48.26 -42.06 29.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.038 1.335 . . . . 10.0 112.782 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.98 -44.94 96.63 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.97 -0.457 . . . . 10.0 111.086 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.74 -45.68 81.69 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -50.67 -47.14 58.87 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.385 0.539 . . . . 10.0 110.471 173.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -57.98 -50.06 74.69 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.102 0.961 . . . . 10.0 110.923 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.32 -38.08 89.74 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.748 -0.595 . . . . 10.0 110.961 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.37 -48.2 76.39 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.769 -1.207 . . . . 10.0 110.722 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.5 t -51.28 -48.63 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.463 -0.773 . . . . 10.0 109.86 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -53.31 -46.97 69.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.803 -0.617 . . . . 10.0 111.231 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.26 -46.38 83.1 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 118.495 0.589 . . . . 10.0 111.325 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.0 mt -53.44 -52.34 59.76 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.795 0.725 . . . . 10.0 109.699 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.4 t -52.4 -51.65 31.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.25 -0.881 . . . . 10.0 109.354 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -58.33 -48.17 81.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.565 1.075 . . . . 10.0 111.482 -177.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.14 76.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.852 0.861 . . . . 10.0 111.324 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.6 mt -81.36 -41.49 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.337 0.655 . . . . 10.0 111.268 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -155.73 100.18 2.21 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 126.487 1.915 . . . . 10.0 109.543 -168.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -59.87 116.31 3.22 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.739 1.626 . . . . 10.0 109.829 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 m -74.15 126.59 89.02 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-O 118.975 -0.536 . . . . 10.0 110.483 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -51.35 -52.72 8.45 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 124.149 3.232 . . . . 10.0 114.185 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -161.8 146.11 9.8 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 107.545 -1.28 . . . . 10.0 107.545 -171.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -43.47 -46.97 9.58 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.257 2.638 . . . . 10.0 113.617 174.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.8 -35.09 63.5 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.689 -0.632 . . . . 10.0 111.851 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.11 61.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.009 0.524 . . . . 10.0 111.692 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.62 -25.65 27.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.379 0.536 . . . . 10.0 111.81 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -69.56 -21.57 63.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.32 127.27 32.04 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.138 -0.976 . . . . 10.0 109.777 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -43.84 -46.16 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.89 -38.04 75.09 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.152 -0.342 . . . . 10.0 110.511 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.1 tpp -76.83 -47.24 22.03 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 118.948 -0.549 . . . . 10.0 109.658 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -48.69 -45.04 38.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.283 0.947 . . . . 10.0 111.649 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -57.44 -44.23 84.56 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 122.25 -0.281 . . . . 10.0 111.083 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.41 -41.55 80.24 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.897 -0.502 . . . . 10.0 110.664 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.55 -50.36 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.4 -50.99 70.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.019 0.528 . . . . 10.0 110.864 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -51.84 -50.88 60.02 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.013 0.369 . . . . 10.0 111.061 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.36 90.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.059 -0.401 . . . . 10.0 110.544 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -55.21 -52.22 64.07 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.067 0.547 . . . . 10.0 110.395 174.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -54.04 -54.78 34.48 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.257 0.623 . . . . 10.0 110.935 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -44.64 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.128 -0.358 . . . . 10.0 110.321 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.87 -45.47 82.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.405 -0.809 . . . . 10.0 111.294 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.93 -53.0 39.22 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.716 -0.953 . . . . 10.0 110.716 173.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -50.97 -50.46 58.08 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.027 0.531 . . . . 10.0 110.507 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.1 mmt -57.41 -46.86 83.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 119.598 -0.239 . . . . 10.0 111.447 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.53 -48.63 71.73 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.811 0.445 . . . . 10.0 110.585 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.06 -27.21 61.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -73.81 -42.34 61.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.746 0.703 . . . . 10.0 112.252 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.51 115.91 10.23 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -65.17 -21.48 66.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.967 0.907 . . . . 10.0 112.76 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -154.59 150.06 27.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.327 -0.858 . . . . 10.0 109.394 -173.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -47.19 -46.2 23.68 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.634 1.174 . . . . 10.0 111.28 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.31 -47.6 65.87 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.478 0.711 . . . . 10.0 110.832 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -64.33 -48.37 75.85 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.418 ' CE2' HG11 ' A' ' 10' ' ' VAL . 71.7 t80 -50.26 -48.69 54.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.635 . . . . 10.0 111.596 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.35 -52.68 64.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.78 -0.575 . . . . 10.0 110.823 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -51.75 -63.67 1.06 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.724 0.41 . . . . 10.0 111.945 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.341 0.4 OUTLIER -64.06 -28.64 69.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.457 -0.777 . . . . 10.0 112.972 -175.263 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 mt -65.99 -53.99 31.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.983 1.265 . . . . 10.0 110.913 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.43 74.0 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.24 -45.43 91.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 10.0 110.957 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -55.75 -51.17 68.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.93 0.786 . . . . 10.0 110.127 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.1 mt -52.49 -53.19 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.843 0.354 . . . . 10.0 110.491 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -53.28 41.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.828 1.251 . . . . 10.0 109.501 -177.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -56.79 -52.56 64.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.33 0.652 . . . . 10.0 111.395 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.4 mt -49.85 -53.21 11.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 118.448 0.567 . . . . 10.0 109.855 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -59.79 -49.51 77.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.22 0.464 . . . . 10.0 111.52 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.88 -47.88 76.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.706 0.685 . . . . 10.0 111.926 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 . . . . . 0 CA--C 1.534 0.346 0 C-N-CA 123.342 0.657 . . . . 10.0 110.707 -177.031 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.543 0.211 . . . . 10.0 111.376 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -54.19 -47.61 71.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.478 0.711 . . . . 10.0 111.158 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -60.67 -59.07 5.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.29 -53.56 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 122.908 0.483 . . . . 10.0 110.151 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -70.58 -46.35 63.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.504 -0.76 . . . . 10.0 111.34 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.64 -46.79 88.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.334 0.97 . . . . 10.0 109.952 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.66 -54.3 39.74 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.793 0.837 . . . . 10.0 110.773 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.85 -52.95 63.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.243 0.544 . . . . 10.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.69 -42.38 88.41 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.509 1.124 . . . . 10.0 111.069 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.88 -53.15 53.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.298 0.639 . . . . 10.0 110.582 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.73 -50.43 72.46 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.7 mtt -51.13 -40.97 59.71 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.987 -0.445 . . . . 10.0 111.487 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -70.24 -9.66 56.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.519 1.128 . . . . 10.0 113.834 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 31.9 m -52.58 -43.77 65.49 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 120.097 1.317 . . . . 10.0 111.24 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.05 -45.61 79.2 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.198 -0.314 . . . . 10.0 111.349 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.528 0.106 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 178.686 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.55 -70.98 2.37 Favored Glycine 0 CA--C 1.525 0.68 0 O-C-N 120.142 -1.599 . . . . 10.0 110.045 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -53.97 -30.25 46.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.612 1.165 . . . . 10.0 111.454 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -42.83 -37.02 1.66 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.175 1.39 . . . . 10.0 112.649 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.17 -34.14 68.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.195 0.598 . . . . 10.0 112.095 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -74.95 -50.45 16.69 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.836 -0.801 . . . . 10.0 108.836 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -84.02 85.83 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.827 0.822 . . . . 10.0 110.289 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.0 p -76.15 162.12 28.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.628 1.571 . . . . 10.0 111.542 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -50.4 -38.58 43.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.147 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.41 -47.3 86.67 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.264 0.938 . . . . 10.0 110.492 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.78 -45.64 88.84 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.3 -47.04 62.7 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.493 0.588 . . . . 10.0 110.821 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -61.75 -46.51 89.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.077 1.351 . . . . 10.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.6 -34.4 76.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.539 -0.726 . . . . 10.0 110.983 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.27 -46.36 80.79 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 120.984 -1.072 . . . . 10.0 110.55 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -51.33 -47.6 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.09 -50.82 63.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 119.245 -0.407 . . . . 10.0 110.336 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmpm? -56.89 -40.31 76.0 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.868 0.758 . . . . 10.0 112.162 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.1 mt -54.05 -54.14 43.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 119.274 0.943 . . . . 10.0 109.262 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -53.19 -54.79 15.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 118.672 -0.68 . . . . 10.0 109.875 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -54.27 -49.39 69.68 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.024 0.829 . . . . 10.0 111.893 -177.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.81 0.444 . . . . 10.0 111.446 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.17 -32.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.457 0.703 . . . . 10.0 110.971 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -156.09 91.16 2.68 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.265 1.826 . . . . 10.0 108.816 -168.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.29 99.19 0.29 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.822 2.348 . . . . 10.0 110.651 -174.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.8 m -93.92 133.59 27.45 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 10.0 109.693 -170.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.15 -49.68 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.439 2.759 . . . . 10.0 113.65 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.78 141.97 19.72 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 117.749 -1.119 . . . . 10.0 109.342 -169.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -42.1 -44.03 7.39 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.512 2.808 . . . . 10.0 113.735 170.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -36.98 59.63 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.633 -0.667 . . . . 10.0 112.188 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -25.06 62.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.165 0.586 . . . . 10.0 111.454 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.59 -15.63 29.91 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.69 -14.91 60.37 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.47 147.88 51.8 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 0.933 . . . . 10.0 111.181 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -60.82 -48.7 80.6 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.642 0.777 . . . . 10.0 112.584 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -55.5 -47.26 76.47 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.403 -0.962 . . . . 10.0 108.403 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.9 mmm -64.03 -48.86 74.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.669 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.58 -44.05 65.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.34 0.973 . . . . 10.0 110.551 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -61.67 -49.52 76.19 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.873 -0.517 . . . . 10.0 111.115 175.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.87 -36.92 84.87 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.584 -0.697 . . . . 10.0 111.092 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.83 -50.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 10.0 108.646 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.1 -50.35 67.04 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.318 0.508 . . . . 10.0 110.51 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.08 -51.51 66.15 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.263 0.225 . . . . 10.0 111.054 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.45 83.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.575 0.75 . . . . 10.0 111.2 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -55.3 -54.14 47.31 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.281 0.632 . . . . 10.0 110.235 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -51.8 -56.96 10.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.058 0.543 . . . . 10.0 110.344 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -45.48 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.574 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -56.73 -45.67 81.8 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.419 -0.801 . . . . 10.0 110.896 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.31 -51.06 53.64 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 10.0 110.974 173.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -52.79 -49.88 64.71 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.422 -0.458 . . . . 10.0 110.643 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.8 mmt -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 119.502 -0.285 . . . . 10.0 111.347 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.42 -47.83 66.09 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.879 0.871 . . . . 10.0 110.067 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -69.13 -42.9 75.41 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -67.72 -38.32 83.41 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.43 109.27 6.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -169.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -48.35 -52.2 22.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.749 1.22 . . . . 10.0 112.498 170.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.1 t -121.57 163.11 19.44 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.438 1.495 . . . . 10.0 110.78 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.92 -37.71 69.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 10.0 109.686 169.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -54.93 -52.13 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.386 0.612 . . . . 10.0 109.937 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.81 -50.08 74.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.698 0.799 . . . . 10.0 108.906 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -51.13 -52.31 45.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.783 0.833 . . . . 10.0 111.63 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -55.95 -52.14 65.19 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.978 -0.452 . . . . 10.0 110.653 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -55.63 -62.35 1.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.354 0.3 OUTLIER -64.91 -27.83 69.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.765 0.711 . . . . 10.0 112.494 -174.839 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.04 -54.37 31.31 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.843 1.201 . . . . 10.0 110.712 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.63 74.68 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.084 -0.385 . . . . 10.0 110.649 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.67 -50.49 70.11 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 123.415 0.686 . . . . 10.0 110.328 174.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -54.71 -50.62 67.87 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.71 -0.619 . . . . 10.0 110.412 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.84 -55.02 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -54.7 15.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.629 1.172 . . . . 10.0 109.391 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.27 -48.22 81.14 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.262 0.625 . . . . 10.0 111.552 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.61 -48.77 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 119.923 1.238 . . . . 10.0 110.225 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -56.78 -48.36 78.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.826 -0.546 . . . . 10.0 111.043 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -64.95 -51.88 59.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.991 0.516 . . . . 10.0 112.115 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--N 1.33 -0.246 0 C-N-CA 124.963 1.305 . . . . 10.0 111.088 -172.134 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 . . . . . 0 CA--C 1.529 0.135 0 N-CA-C 112.357 0.502 . . . . 10.0 112.357 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -54.7 -45.13 73.94 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.894 0.477 . . . . 10.0 110.304 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.45 67.26 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.23 -0.655 . . . . 10.0 109.23 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.03 -54.48 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.766 0.826 . . . . 10.0 110.155 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -66.59 -51.45 56.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 119.39 -0.338 . . . . 10.0 110.76 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.92 -47.38 77.6 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.416 0.553 . . . . 10.0 110.412 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 42.5 tp -54.73 -50.72 67.67 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.076 0.95 . . . . 10.0 110.564 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.85 -54.71 43.04 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.21 0.529 . . . . 10.0 110.615 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.96 -38.3 90.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.547 1.139 . . . . 10.0 112.306 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.49 -54.78 10.6 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.705 0.684 . . . . 10.0 110.552 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -54.21 47.63 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -177.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.2 mtt -47.76 -46.15 29.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.69 0.796 . . . . 10.0 111.436 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 55.4 p -71.27 -9.69 58.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.817 1.043 . . . . 10.0 113.817 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.9 m -49.27 -35.98 19.34 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.287 0.847 . . . . 10.0 113.287 -169.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.78 -48.07 80.73 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.2 0.909 . . . . 10.0 111.918 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 . . . . . 0 C--O 1.233 0.205 0 C-N-CA 122.808 0.443 . . . . 10.0 110.351 177.099 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.958 0 N-CA-C 110.299 -1.121 . . . . 10.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.05 -73.52 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 117.638 0.719 . . . . 10.0 110.246 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -84.47 -22.94 30.11 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.209 0.818 . . . . 10.0 113.209 -169.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -145.2 152.26 39.71 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.957 1.303 . . . . 10.0 107.532 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.9 59.07 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 118.395 0.543 . . . . 10.0 112.158 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -80.73 -9.73 59.78 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.857 1.263 . . . . 10.0 114.158 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -39.77 -49.99 2.35 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.798 1.239 . . . . 10.0 114.299 -169.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -55.76 -22.09 22.28 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 -174.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -67.18 -28.53 68.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.509 0.595 . . . . 10.0 111.992 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.53 100.85 4.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.332 0.586 . . . . 10.0 111.588 -169.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -85.89 165.05 17.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.507 1.523 . . . . 10.0 111.157 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -45.86 -42.38 12.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.657 1.983 . . . . 10.0 112.095 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.43 -46.43 90.14 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.76 -0.588 . . . . 10.0 110.77 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.19 -42.14 89.27 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -53.13 -46.45 68.78 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.092 0.405 . . . . 10.0 110.275 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.0 m -59.53 -49.13 78.98 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.156 0.982 . . . . 10.0 110.654 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -61.94 -40.39 95.38 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.826 -0.546 . . . . 10.0 110.759 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.03 -45.62 91.4 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.587 -0.696 . . . . 10.0 110.932 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.5 t -52.38 -47.0 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.442 -0.786 . . . . 10.0 109.773 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -56.25 -50.01 72.55 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.663 -0.648 . . . . 10.0 110.724 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -49.87 -47.07 52.11 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 118.727 -0.654 . . . . 10.0 111.152 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -52.98 -55.92 19.95 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.932 0.787 . . . . 10.0 109.988 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -53.24 -55.51 12.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.606 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -65.26 -36.12 83.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.084 1.311 . . . . 10.0 112.797 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.92 84.97 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.658 -0.651 . . . . 10.0 111.13 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.53 -54.22 17.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -133.93 93.25 20.68 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 127.761 2.424 . . . . 10.0 109.849 -169.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.5 81.43 0.42 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 123.443 2.762 . . . . 10.0 109.914 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.4 m -59.87 124.9 78.84 Favored Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 125.272 1.429 . . . . 10.0 111.037 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.94 -50.66 11.34 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.69 3.593 . . . . 10.0 114.5 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -143.43 134.8 12.71 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-O 117.819 -1.086 . . . . 10.0 109.13 -173.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -42.21 -44.44 7.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.804 3.003 . . . . 10.0 113.86 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.767 -0.583 . . . . 10.0 112.052 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.63 58.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.191 0.596 . . . . 10.0 111.559 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.9 mt -57.19 -22.04 37.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.186 0.594 . . . . 10.0 112.338 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -62.54 -28.1 69.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.478 0.581 . . . . 10.0 112.261 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.08 137.21 57.54 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.901 0.773 . . . . 10.0 110.55 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -50.06 -40.43 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.002 0.921 . . . . 10.0 112.62 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -53.55 -49.62 67.25 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 10.0 109.723 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.9 mmm -69.51 -44.06 71.82 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 118.908 -0.568 . . . . 10.0 109.812 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -49.19 -44.4 43.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.671 0.669 . . . . 10.0 110.624 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -59.95 -46.14 90.36 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.148 -0.345 . . . . 10.0 111.317 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.68 -40.53 95.56 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.736 -0.603 . . . . 10.0 110.911 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.15 -52.22 61.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 124.426 1.09 . . . . 10.0 108.853 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.75 -49.01 74.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.169 0.588 . . . . 10.0 110.928 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -52.0 -54.5 29.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.91 0.484 . . . . 10.0 110.273 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.32 86.04 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.225 0.61 . . . . 10.0 111.115 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.28 -53.99 50.69 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.076 0.398 . . . . 10.0 110.395 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -52.3 -55.59 20.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.788 0.835 . . . . 10.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.14 -51.6 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.142 0.977 . . . . 10.0 110.405 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -55.45 -48.95 73.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.115 0.87 . . . . 10.0 111.168 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.82 -54.23 32.05 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.58 -50.22 54.34 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.456 0.703 . . . . 10.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.8 mmt -59.24 -45.5 90.99 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 119.083 -0.484 . . . . 10.0 111.374 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.27 -51.89 60.81 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.357 0.526 . . . . 10.0 110.137 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.73 -32.75 72.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 m -69.86 -42.4 73.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.769 -0.582 . . . . 10.0 112.029 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.26 113.23 5.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.106 0.962 . . . . 10.0 113.023 -169.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -61.49 -23.03 65.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.07 0.948 . . . . 10.0 113.041 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 m -154.55 151.3 28.71 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.16 -0.962 . . . . 10.0 109.884 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -53.73 -51.01 64.68 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.705 0.764 . . . . 10.0 111.402 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.12 -44.68 21.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.042 0.537 . . . . 10.0 111.927 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.24 -48.32 76.26 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -49.34 -48.42 46.61 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.556 0.742 . . . . 10.0 111.317 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -60.52 -52.58 64.57 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.598 -0.689 . . . . 10.0 111.505 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -52.7 -64.36 0.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.165 0.586 . . . . 10.0 111.544 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.3 OUTLIER -63.0 -28.24 69.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.792 0.724 . . . . 10.0 112.824 -175.282 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.54 -58.18 7.81 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.716 1.144 . . . . 10.0 110.697 170.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.49 -44.46 76.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.912 -0.492 . . . . 10.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -55.95 -50.84 69.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.513 0.725 . . . . 10.0 110.231 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -55.57 -49.77 71.84 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.384 0.538 . . . . 10.0 110.696 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.2 mt -51.88 -51.16 30.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.429 ' CE1' HD23 ' B' ' 95' ' ' LEU . 5.4 t80 -56.08 -50.33 71.32 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 -177.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -53.89 -49.49 68.44 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.963 -0.541 . . . . 10.0 111.184 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -51.14 -56.32 5.21 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 118.74 0.7 . . . . 10.0 109.79 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -65.43 -41.15 93.84 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 118.78 -1.168 . . . . 10.0 111.893 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -57.57 -47.8 81.1 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 120.488 -1.382 . . . . 10.0 110.636 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.01 -65.31 0.82 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.232 1.013 . . . . 10.0 111.094 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.1 tp -82.26 -12.81 57.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.468 1.907 . . . . 10.0 114.347 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 8.95 85.22 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 128.787 2.835 . . . . 10.0 114.222 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -114.37 -26.58 7.92 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 117.592 -1.194 . . . . 10.0 112.838 -174.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -17.07 -75.05 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.49 1.916 . . . . 10.0 114.879 -169.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -73.25 -32.42 64.7 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.528 -0.733 . . . . 10.0 112.243 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -67.68 -43.05 81.1 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.675 0.79 . . . . 10.0 110.776 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 p 0.1 -71.16 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 130.026 3.33 . . . . 10.0 114.978 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -30.32 -55.27 0.19 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.224 1.81 . . . . 10.0 112.837 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.2 tp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.258 -1.353 . . . . 10.0 110.093 177.149 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -47.53 5.47 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.603 1.161 . . . . 10.0 113.343 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.0 -45.61 82.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.216 0.606 . . . . 10.0 110.276 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.56 -44.86 89.42 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.6 mm -51.75 -57.65 3.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.657 0.742 . . . . 10.0 109.216 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpp? -66.75 -38.8 87.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.277 -0.874 . . . . 10.0 111.274 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -59.82 -54.85 41.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.613 1.097 . . . . 10.0 110.864 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 73' ' ' TYR . 26.6 tp -58.21 -43.34 87.61 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.234 -0.291 . . . . 10.0 110.405 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.15 -55.98 23.32 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.293 0.568 . . . . 10.0 110.97 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.1 tp -58.75 -38.06 77.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 125.195 1.398 . . . . 10.0 111.514 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 56.1 tp -45.51 -49.39 13.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.544 0.738 . . . . 10.0 110.695 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -68.15 -52.16 37.81 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.4 mtt -56.83 -36.29 69.81 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.493 0.717 . . . . 10.0 112.798 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 96.3 p -55.03 -46.35 75.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.776 0.83 . . . . 10.0 112.156 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -24.54 -69.5 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.51 2.324 . . . . 10.0 115.595 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.22 -38.87 71.61 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.787 -0.57 . . . . 10.0 111.852 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -63.95 -49.79 71.18 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.968 0.907 . . . . 10.0 108.82 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -54.68 -52.61 61.81 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.662 0.385 . . . . 10.0 110.141 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.23 -55.01 36.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.087 0.555 . . . . 10.0 111.009 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -63.86 -33.03 74.79 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.669 0.668 . . . . 10.0 111.035 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.87 -53.73 43.89 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.636 -0.986 . . . . 10.0 110.636 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.11 54.26 1.6 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.162 0.985 . . . . 10.0 110.276 -177.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -80.3 59.35 3.38 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.191 -0.943 . . . . 10.0 110.078 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -135.21 -61.04 0.75 Allowed 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.147 0.579 . . . . 10.0 112.236 -175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.872 -1.061 . . . . 10.0 112.457 -174.265 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 0 N-CA-C 111.829 -0.509 . . . . 10.0 111.829 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.13 60.94 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.048 0.939 . . . . 10.0 111.475 -176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -49.26 -44.92 44.18 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.344 1.457 . . . . 10.0 114.206 -170.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -97.61 5.64 49.16 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.87 0.868 . . . . 10.0 112.087 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -74.58 0.54 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -56.18 -23.11 33.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.512 1.525 . . . . 10.0 112.131 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.21 -33.18 5.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.165 1.386 . . . . 10.0 111.902 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.88 -28.46 36.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.802 0.841 . . . . 10.0 112.187 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -85.43 -57.42 3.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.806 0.842 . . . . 10.0 109.706 172.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.19 87.88 2.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.405 -169.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.9 p -80.89 166.41 20.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.462 1.505 . . . . 10.0 111.925 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -47.13 -43.91 21.12 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.852 2.061 . . . . 10.0 111.644 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -53.75 -54.72 34.2 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.347 0.659 . . . . 10.0 110.793 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.26 -41.79 96.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtt180 -53.79 -51.12 64.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.251 0.478 . . . . 10.0 110.309 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.5 t -60.09 -49.21 78.56 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.657 0.783 . . . . 10.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -61.05 -41.44 96.61 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.759 -0.588 . . . . 10.0 110.072 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.66 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.995 -1.066 . . . . 10.0 111.221 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 t -49.02 -50.05 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.806 0.73 . . . . 10.0 109.668 173.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -52.72 -51.11 61.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.017 -0.516 . . . . 10.0 110.924 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -56.76 -37.81 71.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.272 0.942 . . . . 10.0 112.355 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.08 -53.68 55.47 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 119.648 1.113 . . . . 10.0 109.506 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.2 t -52.08 -52.47 23.65 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-O 118.534 -0.746 . . . . 10.0 109.973 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -57.39 -50.96 71.31 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.163 0.892 . . . . 10.0 111.33 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.88 81.95 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.802 -0.561 . . . . 10.0 111.648 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.56 -41.76 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 122.896 0.478 . . . . 10.0 110.687 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -151.92 90.42 3.88 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 125.999 1.719 . . . . 10.0 110.049 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.05 121.29 9.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.435 2.09 . . . . 10.0 110.695 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.8 p -81.55 124.11 80.3 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 117.675 -1.155 . . . . 10.0 110.416 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.85 -39.03 31.45 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 123.516 2.811 . . . . 10.0 113.529 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -146.46 136.04 11.65 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -45.79 -42.37 19.65 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.266 2.644 . . . . 10.0 112.907 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.31 -24.84 20.74 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.678 -0.639 . . . . 10.0 112.641 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.12 67.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.814 -0.554 . . . . 10.0 112.221 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.0 mt -47.61 -38.0 13.71 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.117 0.967 . . . . 10.0 112.931 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -77.48 -5.86 51.43 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.91 143.8 57.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.315 0.961 . . . . 10.0 111.552 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -40.99 -43.25 2.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.756 1.622 . . . . 10.0 113.479 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -70.57 -58.0 4.15 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -52.99 -42.1 65.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.381 1.072 . . . . 10.0 112.103 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -46.0 -37.0 6.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.862 0.865 . . . . 10.0 112.579 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -65.06 -49.11 71.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.325 0.583 . . . . 10.0 110.516 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.92 -41.6 95.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.179 0.592 . . . . 10.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.8 -51.73 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.251 0.621 . . . . 10.0 109.523 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.88 75.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.805 0.442 . . . . 10.0 110.778 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -54.91 -51.28 66.53 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.71 0.232 . . . . 10.0 110.622 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.21 83.11 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.986 0.515 . . . . 10.0 111.052 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -54.72 -54.42 42.15 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -53.31 -54.18 40.22 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.408 0.683 . . . . 10.0 110.471 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -46.36 96.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 122.8 0.44 . . . . 10.0 110.44 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -56.47 -46.32 80.48 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.761 0.709 . . . . 10.0 110.609 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.84 -53.7 35.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.096 -0.802 . . . . 10.0 111.096 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -50.59 -50.67 53.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.91 0.884 . . . . 10.0 110.533 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.44 -46.15 91.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.169 -0.443 . . . . 10.0 111.085 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -53.42 -50.49 65.09 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.429 0.559 . . . . 10.0 110.211 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.72 -41.7 95.79 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.395 0.278 . . . . 10.0 111.624 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 m -66.22 -35.47 80.53 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.59 108.18 4.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -169.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -54.97 -34.79 63.63 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.369 1.067 . . . . 10.0 112.456 169.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -141.85 162.5 35.32 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.488 1.115 . . . . 10.0 109.918 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -57.61 -44.5 85.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.103 0.561 . . . . 10.0 110.125 169.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -50.59 -53.09 33.33 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.897 0.479 . . . . 10.0 110.513 173.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -55.84 -53.45 56.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.13 -50.97 26.8 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.565 1.146 . . . . 10.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -60.5 -52.01 67.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.852 -0.53 . . . . 10.0 111.07 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -53.23 -62.27 1.76 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.671 0.388 . . . . 10.0 111.971 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -65.31 -29.02 69.73 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.699 -0.667 . . . . 10.0 112.761 -175.586 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.3 mt -66.05 -53.98 31.6 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.94 1.246 . . . . 10.0 110.991 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.77 78.07 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.915 -0.491 . . . . 10.0 109.995 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.65 -44.25 90.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.213 0.605 . . . . 10.0 110.931 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -56.42 -52.89 62.96 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.83 0.741 . . . . 10.0 110.49 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.4 mt -51.46 -54.25 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.133 0.492 . . . . 10.0 110.111 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -51.48 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.769 1.228 . . . . 10.0 109.271 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mmpp? -52.25 -51.89 55.75 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.802 -1.094 . . . . 10.0 111.087 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -54.42 -56.84 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 120.653 1.569 . . . . 10.0 109.548 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.55 -27.08 62.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 10.0 112.685 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -79.4 -69.85 0.55 Allowed 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.333 -0.854 . . . . 10.0 110.207 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -46.84 -48.62 20.88 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 127.209 2.204 . . . . 10.0 112.455 -173.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.81 -62.9 1.28 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -51.66 -45.63 63.47 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.493 0.717 . . . . 10.0 111.665 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -81.21 -0.29 39.9 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.296 0.851 . . . . 10.0 113.296 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -46.17 -45.03 16.47 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.138 0.975 . . . . 10.0 111.569 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -47.59 -45.26 27.19 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.751 1.221 . . . . 10.0 111.486 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -73.71 -44.26 56.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.001 0.521 . . . . 10.0 109.779 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -53.09 -34.49 56.85 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -30.24 45.1 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 173.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.302 -1.332 . . . . 10.0 109.61 -176.617 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -46.49 4.99 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.082 0.953 . . . . 10.0 112.858 172.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -53.3 57.7 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.799 0.84 . . . . 10.0 108.851 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -56.08 -49.95 72.38 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 125.455 1.502 . . . . 10.0 109.291 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.52 -51.2 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.67 -48.59 68.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.295 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -60.93 -41.52 96.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.489 1.04 . . . . 10.0 110.863 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.19 -54.03 50.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.184 0.593 . . . . 10.0 110.389 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.04 -52.57 65.17 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.449 0.642 . . . . 10.0 110.124 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.12 -43.86 91.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.407 1.483 . . . . 10.0 111.215 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.1 tp -49.62 -55.18 14.55 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.339 0.656 . . . . 10.0 110.96 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.5 -52.7 63.43 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.0 mtt -49.51 -39.31 33.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.705 0.802 . . . . 10.0 112.327 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -68.64 -11.32 59.95 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.308 -0.87 . . . . 10.0 112.888 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 20.8 m -60.21 -48.31 82.26 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.764 1.166 . . . . 10.0 110.16 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.53 -43.03 99.81 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.715 -0.616 . . . . 10.0 110.33 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.67 -36.65 57.39 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.024 0.375 . . . . 10.0 110.689 177.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.86 -56.7 4.64 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.268 1.027 . . . . 10.0 111.539 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.32 -32.03 26.53 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 116.545 2.054 . . . . 10.0 116.545 -168.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -57.42 -39.27 75.85 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.928 1.455 . . . . 10.0 114.928 -168.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.81 -75.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.196 0.903 . . . . 10.0 112.001 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -119.63 -16.04 8.88 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.487 1.515 . . . . 10.0 111.9 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.16 73.61 1.76 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.478 1.035 . . . . 10.0 110.919 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.8 147.72 45.46 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.608 -0.683 . . . . 10.0 111.05 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.602 -1.666 . . . . 10.0 112.201 -179.72 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 112.071 -0.412 . . . . 10.0 112.071 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.51 47.81 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.706 1.202 . . . . 10.0 113.187 -171.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -45.44 -43.49 11.45 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.535 1.534 . . . . 10.0 114.537 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -96.22 6.18 49.39 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.427 0.691 . . . . 10.0 112.283 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.11 -72.99 0.9 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 120.97 -1.081 . . . . 10.0 110.999 -171.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -50.19 -36.43 30.5 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.166 1.386 . . . . 10.0 112.207 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -35.5 -43.43 0.26 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.794 2.037 . . . . 10.0 111.844 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.41 -36.59 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.065 0.946 . . . . 10.0 112.993 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.71 -44.79 55.45 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.554 0.692 . . . . 10.0 109.496 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.16 87.87 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 121.794 0.807 . . . . 10.0 109.714 -173.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.6 p -69.59 166.0 19.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.651 1.18 . . . . 10.0 112.198 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -50.86 -39.87 54.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.531 -1.213 . . . . 10.0 111.266 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.94 -51.03 71.33 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.507 0.594 . . . . 10.0 110.288 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.52 -44.53 94.03 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 119.185 -0.436 . . . . 10.0 110.206 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -49.84 -53.48 25.3 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.861 0.755 . . . . 10.0 110.682 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 m -58.35 -44.41 88.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.425 1.49 . . . . 10.0 110.712 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.01 -44.7 91.8 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.867 -0.521 . . . . 10.0 110.754 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.84 -45.17 93.86 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.31 -0.869 . . . . 10.0 110.96 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 t -49.68 -48.43 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.679 0.792 . . . . 10.0 109.847 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -56.04 -51.05 69.19 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.609 -0.682 . . . . 10.0 110.966 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -50.84 -43.94 59.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.743 0.701 . . . . 10.0 111.871 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.25 -52.12 66.6 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.028 0.831 . . . . 10.0 110.671 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -53.23 -48.84 54.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.747 0.703 . . . . 10.0 110.262 176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.4 -44.52 89.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.483 0.583 . . . . 10.0 111.311 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.07 99.73 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.639 -0.663 . . . . 10.0 111.686 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.42 -39.24 83.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.638 0.775 . . . . 10.0 110.482 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -165.81 94.42 0.82 Allowed Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 10.0 110.123 -168.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.48 105.5 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.296 2.664 . . . . 10.0 111.037 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 m -76.24 122.52 86.94 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.792 1.237 . . . . 10.0 110.838 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -48.37 -56.94 2.67 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.345 3.363 . . . . 10.0 113.702 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -134.3 126.98 18.69 Favored Pre-proline 0 N--CA 1.45 -0.438 0 C-N-CA 124.652 1.181 . . . . 10.0 108.251 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -42.34 -42.54 7.79 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 124.334 3.356 . . . . 10.0 114.015 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.28 -35.36 12.02 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.922 0.712 . . . . 10.0 112.922 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.43 49.51 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.645 0.778 . . . . 10.0 112.313 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -54.28 -24.81 20.34 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.447 0.699 . . . . 10.0 111.914 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.37 -12.8 61.83 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.62 143.48 28.41 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.6 1.091 . . . . 10.0 112.134 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -51.01 -39.5 55.94 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.832 1.653 . . . . 10.0 112.637 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.99 -57.41 13.22 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mmm -60.01 -38.48 82.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.784 -0.572 . . . . 10.0 111.108 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -49.37 -35.92 20.19 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.664 0.785 . . . . 10.0 111.853 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.86 -45.16 79.01 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.806 -0.559 . . . . 10.0 110.997 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.24 -46.05 88.71 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.797 -0.565 . . . . 10.0 109.644 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.76 -50.55 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.926 0.89 . . . . 10.0 109.902 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.24 74.31 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.225 0.61 . . . . 10.0 111.07 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.0 -51.52 56.79 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.768 0.427 . . . . 10.0 110.289 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.91 84.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.169 0.587 . . . . 10.0 111.832 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -55.19 -52.34 63.66 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.502 0.721 . . . . 10.0 110.234 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.18 -59.24 4.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.824 0.85 . . . . 10.0 110.171 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -46.74 93.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.231 -172.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -57.76 -42.21 83.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.357 -0.839 . . . . 10.0 110.435 173.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.96 -55.64 20.18 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.391 -1.084 . . . . 10.0 110.391 171.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.27 -47.74 62.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.323 0.561 . . . . 10.0 111.313 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.0 mmt -60.94 -47.83 84.64 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 122.127 -0.358 . . . . 10.0 111.607 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.13 -39.92 76.1 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.983 1.313 . . . . 10.0 110.749 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.7 -47.04 64.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.847 0.859 . . . . 10.0 111.525 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -72.95 -29.88 63.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.556 0.947 . . . . 10.0 113.556 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.18 117.23 16.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 122.17 0.986 . . . . 10.0 112.9 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -82.8 -12.42 57.5 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.657 1.183 . . . . 10.0 112.041 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.6 t -150.68 161.87 41.77 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.241 1.016 . . . . 10.0 108.662 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.85 -41.75 92.1 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.704 1.202 . . . . 10.0 110.078 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -54.14 -47.68 71.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.593 0.357 . . . . 10.0 111.386 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -60.06 -52.58 64.75 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -46.92 -51.32 17.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.88 0.872 . . . . 10.0 111.914 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.57 -48.6 76.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.796 -0.565 . . . . 10.0 111.618 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -53.72 -60.93 2.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.414 0.552 . . . . 10.0 112.06 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.355 0.4 OUTLIER -66.87 -30.03 70.09 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.888 0.767 . . . . 10.0 112.59 -174.703 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.07 -50.52 65.83 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.737 1.153 . . . . 10.0 111.223 170.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -48.81 76.03 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.929 -0.482 . . . . 10.0 110.067 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.89 -46.13 74.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.317 1.047 . . . . 10.0 111.054 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -57.36 -52.88 63.56 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.684 0.675 . . . . 10.0 110.344 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.1 mt -51.64 -53.31 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.874 -0.516 . . . . 10.0 110.869 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -51.36 57.97 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.013 1.325 . . . . 10.0 109.387 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -56.19 -51.27 68.65 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.962 0.905 . . . . 10.0 111.553 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -52.99 -55.88 10.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 119.682 1.128 . . . . 10.0 109.632 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.12 -34.76 73.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -70.55 -52.22 23.15 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.202 0.91 . . . . 10.0 111.24 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -71.0 -54.36 11.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.119 1.368 . . . . 10.0 111.123 -172.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 mp -80.35 -28.45 38.06 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.706 0.803 . . . . 10.0 112.685 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 23.13 -86.62 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 128.263 2.625 . . . . 10.0 115.976 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.9 pm0 -70.36 57.07 0.17 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.362 1.616 . . . . 10.0 115.362 -169.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -78.18 -67.7 0.71 Allowed 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 120.49 -1.381 . . . . 10.0 111.029 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -60.03 -26.59 66.23 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.413 -0.804 . . . . 10.0 112.411 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.8 mtm-85 -87.16 -8.57 56.79 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t -158.7 -77.66 0.07 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.041 0.837 . . . . 10.0 111.254 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.2 mtm105 -80.8 65.91 6.12 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.588 -0.695 . . . . 10.0 111.231 -171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.398 -1.287 . . . . 10.0 112.363 -176.283 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.536 0.207 . . . . 10.0 111.237 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -49.14 1.8 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.129 1.372 . . . . 10.0 114.377 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -59.04 -45.05 91.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.117 0.567 . . . . 10.0 110.705 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -62.3 -46.17 89.94 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.23 -51.03 59.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.924 0.489 . . . . 10.0 110.651 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -66.93 -49.78 64.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.791 -0.568 . . . . 10.0 111.125 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -53.09 -47.97 68.12 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.287 0.494 . . . . 10.0 110.528 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.69 -53.46 58.1 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.63 0.772 . . . . 10.0 111.209 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.06 -49.36 78.16 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.108 0.48 . . . . 10.0 109.929 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.29 -43.36 96.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.428 1.091 . . . . 10.0 111.67 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.63 -48.51 63.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.268 0.627 . . . . 10.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.32 -54.08 38.77 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.8 mtt -47.47 -44.77 25.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.893 0.877 . . . . 10.0 111.621 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t -63.85 -9.61 15.92 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.172 1.389 . . . . 10.0 113.633 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 61.0 m -55.53 -31.81 62.41 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 119.935 1.243 . . . . 10.0 112.017 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -47.03 -44.27 20.4 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.863 0.756 . . . . 10.0 111.08 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.32 -47.12 14.99 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.559 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -63.22 -29.31 70.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.727 0.694 . . . . 10.0 111.948 -172.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 50.4 tp -53.4 -40.07 64.8 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.111 0.964 . . . . 10.0 110.533 170.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -79.47 -57.31 3.76 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.43 -0.952 . . . . 10.0 108.43 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -74.7 59.63 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.345 1.45 . . . . 10.0 111.549 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.87 75.27 0.62 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.058 1.743 . . . . 10.0 111.928 -171.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 67.95 0.4 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.405 1.082 . . . . 10.0 113.388 -175.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.67 64.26 0.9 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.928 1.291 . . . . 10.0 111.806 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.252 1.227 0 CA-C-O 117.519 -1.229 . . . . 10.0 111.258 177.917 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.229 0 N-CA-C 111.339 -0.705 . . . . 10.0 111.339 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.8 m -76.47 57.0 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 124.432 1.093 . . . . 10.0 111.326 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -38.09 -57.59 1.05 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.983 2.113 . . . . 10.0 113.845 -169.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -94.48 9.63 37.72 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.385 0.674 . . . . 10.0 112.283 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.3 -76.53 0.48 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 109.917 -1.273 . . . . 10.0 109.917 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -50.54 -34.96 27.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.861 1.264 . . . . 10.0 111.021 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -32.15 -45.08 0.1 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.675 2.39 . . . . 10.0 112.083 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -50.11 -37.44 34.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.634 0.774 . . . . 10.0 112.616 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -78.23 -52.74 8.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.947 0.88 . . . . 10.0 109.336 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.15 77.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-O 122.823 1.297 . . . . 10.0 109.7 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.2 p -75.1 162.93 28.09 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.647 1.979 . . . . 10.0 110.343 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -50.11 -36.92 31.66 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.376 0.671 . . . . 10.0 112.092 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.95 -48.18 80.71 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.365 0.984 . . . . 10.0 110.851 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.86 -43.44 83.56 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -51.63 -48.54 63.29 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.633 0.651 . . . . 10.0 110.643 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.5 m -59.82 -47.28 86.34 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.648 1.579 . . . . 10.0 110.8 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -58.68 -45.42 89.47 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.986 -0.446 . . . . 10.0 109.898 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.02 -45.53 91.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.256 -0.902 . . . . 10.0 111.238 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.7 t -50.96 -50.03 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.529 -0.732 . . . . 10.0 110.239 170.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -54.79 -48.68 72.4 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.632 -0.667 . . . . 10.0 110.186 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -56.02 -41.22 74.6 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-O 118.354 -0.832 . . . . 10.0 112.3 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.96 -54.05 47.77 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.805 1.184 . . . . 10.0 108.954 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -53.55 -52.88 29.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 CA-C-O 118.271 -0.871 . . . . 10.0 110.099 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -58.35 -51.78 68.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.519 1.054 . . . . 10.0 112.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.22 82.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.2 0.6 . . . . 10.0 111.066 -172.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.37 -51.54 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 109.95 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -141.27 90.64 9.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 127.465 2.306 . . . . 10.0 110.667 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.71 123.82 14.62 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.498 2.132 . . . . 10.0 110.843 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.8 p -91.92 119.99 68.1 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 117.835 -1.078 . . . . 10.0 110.256 -175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -49.12 -40.57 41.85 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.531 2.82 . . . . 10.0 113.938 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.16 134.46 11.31 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 117.8 -1.095 . . . . 10.0 108.736 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.42 -42.67 13.91 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.592 2.861 . . . . 10.0 113.577 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.8 52.29 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.513 -0.742 . . . . 10.0 112.033 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -26.09 51.79 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.263 0.625 . . . . 10.0 111.758 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -52.66 -26.73 14.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.254 0.622 . . . . 10.0 112.22 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -67.66 -21.87 65.33 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.52 133.55 55.84 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.404 -0.81 . . . . 10.0 110.215 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -47.37 -43.95 23.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.228 1.011 . . . . 10.0 113.409 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.6 96.29 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.496 -0.752 . . . . 10.0 109.757 177.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.65 -44.11 94.79 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.086 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.2 -41.6 68.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.418 1.008 . . . . 10.0 110.824 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -61.19 -48.8 79.89 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.792 -0.568 . . . . 10.0 111.617 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.79 -40.89 96.81 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.64 -51.04 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.658 1.583 . . . . 10.0 109.017 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.82 76.12 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.192 0.451 . . . . 10.0 110.85 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.06 -51.81 65.16 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.29 0.236 . . . . 10.0 110.4 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.38 80.54 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.241 0.617 . . . . 10.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.14 -54.11 50.47 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.094 0.558 . . . . 10.0 110.438 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -52.88 -54.18 38.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.508 0.723 . . . . 10.0 110.326 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -46.42 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.465 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.3 -43.08 74.49 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.405 1.002 . . . . 10.0 110.857 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.02 -54.66 27.79 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.02 -47.64 64.91 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.77 0.428 . . . . 10.0 110.851 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.17 -47.76 84.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.834 0.454 . . . . 10.0 111.304 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -53.04 -44.67 67.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.433 1.093 . . . . 10.0 110.101 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.92 -41.5 64.5 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.903 0.705 . . . . 10.0 112.903 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -65.17 -41.77 94.31 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.447 -0.783 . . . . 10.0 111.279 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.55 99.01 7.86 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.518 0.727 . . . . 10.0 112.324 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.73 37.26 0.23 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.48 -1.388 . . . . 10.0 111.774 172.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -173.84 152.15 1.94 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.772 1.629 . . . . 10.0 108.837 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -59.56 -42.51 92.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.515 0.726 . . . . 10.0 110.061 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.29 -57.22 11.31 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.363 1.065 . . . . 10.0 109.729 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -56.94 -48.4 78.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.82 -51.03 59.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.936 0.494 . . . . 10.0 111.817 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -58.36 -50.63 72.98 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.883 -0.511 . . . . 10.0 110.752 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -52.6 -61.97 1.94 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.337 0.5 OUTLIER -66.15 -28.79 69.05 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.004 0.82 . . . . 10.0 112.81 -174.457 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.0 mt -64.48 -53.03 54.52 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.772 1.169 . . . . 10.0 110.235 171.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.11 79.15 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.03 -0.419 . . . . 10.0 110.392 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.3 -44.96 84.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.469 0.708 . . . . 10.0 110.815 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -56.93 -52.52 64.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.37 0.532 . . . . 10.0 110.235 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.13 -54.74 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 121.325 0.583 . . . . 10.0 110.148 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -54.59 21.31 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.353 1.461 . . . . 10.0 109.186 -177.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.61 -52.77 64.06 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.134 0.973 . . . . 10.0 110.77 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -47.89 -59.91 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 119.615 1.098 . . . . 10.0 109.147 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -52.39 -55.09 24.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.762 -0.375 . . . . 10.0 111.156 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -58.17 -61.58 2.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.293 0.637 . . . . 10.0 112.688 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -51.64 -55.01 21.85 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.836 1.255 . . . . 10.0 109.75 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.83 -42.02 99.56 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.666 0.786 . . . . 10.0 110.065 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.49 -66.22 0.55 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.968 0.507 . . . . 10.0 110.124 175.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.24 -45.6 90.82 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.652 1.181 . . . . 10.0 112.407 -169.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.55 -44.69 11.08 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 117.986 0.357 . . . . 10.0 111.961 -173.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.3 ttt-85 -96.37 -73.9 0.58 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.45 0.568 . . . . 10.0 110.493 -171.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -56.44 -35.87 68.36 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.068 0.947 . . . . 10.0 111.899 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.1 t -41.17 -47.56 3.3 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.1 1.36 . . . . 10.0 111.636 170.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -83.66 -58.33 2.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.448 1.499 . . . . 10.0 108.921 -179.525 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 111.15 0.056 . . . . 10.0 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -43.4 -54.37 4.78 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.996 1.318 . . . . 10.0 113.356 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.54 -39.92 92.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.55 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -48.76 78.79 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.76 -53.03 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.253 0.621 . . . . 10.0 110.005 174.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.41 -51.26 64.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.218 -0.42 . . . . 10.0 110.979 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -52.7 -49.32 65.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.419 0.554 . . . . 10.0 110.429 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.22 -50.21 73.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.082 0.953 . . . . 10.0 110.881 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.19 -53.35 59.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.618 0.723 . . . . 10.0 110.225 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.18 -40.73 82.25 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.026 1.33 . . . . 10.0 111.862 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.9 tp -47.8 -49.8 27.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.953 0.901 . . . . 10.0 111.002 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.04 -51.0 43.53 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 64.0 mtt -52.44 -38.57 59.53 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.571 -0.706 . . . . 10.0 112.127 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -62.3 -9.96 9.59 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -56.48 -34.42 66.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.681 1.128 . . . . 10.0 112.055 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.07 -53.76 48.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.703 1.138 . . . . 10.0 110.391 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.91 -50.21 74.88 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.18 0.992 . . . . 10.0 109.7 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.67 -48.67 80.28 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.353 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 tp -57.78 -55.14 38.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.393 1.477 . . . . 10.0 110.275 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -64.46 -36.22 83.47 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.264 -0.574 . . . . 10.0 111.149 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.15 -58.64 12.57 Favored Glycine 0 CA--C 1.532 1.149 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 172.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -45.57 -48.89 14.41 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.675 1.59 . . . . 10.0 110.835 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.93 34.96 1.79 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.385 1.074 . . . . 10.0 111.042 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.43 90.97 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.551 -0.718 . . . . 10.0 110.433 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 60.6 tp . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.019 -1.467 . . . . 10.0 109.365 173.033 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 N-CA-C 111.485 -0.646 . . . . 10.0 111.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.2 m -73.71 56.94 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.747 1.219 . . . . 10.0 112.816 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.6 111.78 14.74 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.26 1.424 . . . . 10.0 107.965 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -142.13 7.3 1.79 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.622 0.769 . . . . 10.0 112.703 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.9 -63.71 3.78 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.003 -1.639 . . . . 10.0 109.003 -170.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -62.15 -26.52 68.37 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.867 0.467 . . . . 10.0 111.681 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -43.78 -46.96 7.95 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.789 1.236 . . . . 10.0 112.066 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.74 -29.3 64.64 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.743 0.817 . . . . 10.0 112.383 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -75.85 -14.93 60.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.745 0.818 . . . . 10.0 111.3 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -129.62 84.04 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.848 1.259 . . . . 10.0 108.433 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -74.17 165.46 25.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.512 1.125 . . . . 10.0 111.535 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -49.46 -39.67 34.2 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.906 -1.043 . . . . 10.0 111.992 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.09 -47.16 86.27 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.365 0.984 . . . . 10.0 110.642 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.94 -43.97 86.43 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -51.84 -48.25 64.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.337 0.517 . . . . 10.0 110.784 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 61.5 m -63.31 -45.92 89.11 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.109 1.363 . . . . 10.0 110.674 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -67.61 -32.55 73.35 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.457 -0.777 . . . . 10.0 110.698 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.63 -43.51 89.28 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 120.616 -1.303 . . . . 10.0 110.814 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -51.34 -48.11 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -53.37 -51.55 62.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.098 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -53.22 -43.23 67.09 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.506 0.593 . . . . 10.0 111.571 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 mt -57.28 -53.2 60.81 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 119.161 0.892 . . . . 10.0 110.206 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.59 -49.16 34.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.503 -0.76 . . . . 10.0 109.729 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -62.51 -46.23 89.37 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.288 0.949 . . . . 10.0 111.897 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.5 86.35 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.849 0.86 . . . . 10.0 111.523 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.99 -43.75 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.167 0.587 . . . . 10.0 110.473 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -147.68 92.65 4.71 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.262 1.825 . . . . 10.0 110.701 -168.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -60.18 109.96 0.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 121.837 1.691 . . . . 10.0 108.812 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 m -79.92 125.7 81.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 123.776 0.83 . . . . 10.0 110.808 -169.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.72 -48.83 18.9 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.329 3.352 . . . . 10.0 113.987 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -151.68 137.56 11.22 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 117.492 -1.242 . . . . 10.0 108.05 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -42.49 -43.96 8.28 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.518 2.812 . . . . 10.0 113.712 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.92 60.2 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.728 -0.608 . . . . 10.0 112.011 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.78 42.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.575 0.75 . . . . 10.0 112.063 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.74 -17.92 10.73 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -59.87 -30.31 68.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.935 0.789 . . . . 10.0 112.587 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.99 133.42 55.32 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.841 -0.537 . . . . 10.0 110.058 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -45.67 -45.49 14.13 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.535 1.134 . . . . 10.0 112.354 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -48.81 -55.72 10.79 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.325 1.05 . . . . 10.0 110.245 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.46 -43.86 80.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.508 -176.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -51.57 -45.45 63.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.957 0.799 . . . . 10.0 110.499 175.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -64.37 -45.98 85.35 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.86 -0.525 . . . . 10.0 111.034 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.4 -39.28 92.72 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.511 -0.743 . . . . 10.0 111.116 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -59.91 -50.18 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 126.229 1.811 . . . . 10.0 108.235 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.76 -49.47 70.79 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.176 0.444 . . . . 10.0 110.781 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -55.25 -49.87 70.94 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.011 0.369 . . . . 10.0 110.824 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.08 86.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.802 0.441 . . . . 10.0 111.137 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.63 -53.36 55.79 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.513 0.725 . . . . 10.0 110.042 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.25 -52.9 59.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.015 0.526 . . . . 10.0 110.917 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -47.36 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 122.052 -0.405 . . . . 10.0 110.694 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -56.84 -45.47 82.36 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.564 -0.71 . . . . 10.0 110.445 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.06 22.99 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.574 -1.011 . . . . 10.0 110.574 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -51.16 -49.5 60.76 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.286 0.634 . . . . 10.0 110.893 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.3 mmt -58.23 -48.04 81.63 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.61 -0.233 . . . . 10.0 111.074 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -56.5 -47.96 78.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.243 0.617 . . . . 10.0 110.738 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.46 -34.63 77.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.519 0.728 . . . . 10.0 111.802 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.3 t -71.72 -48.11 49.36 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.539 0.685 . . . . 10.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.45 108.29 2.76 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.208 1.003 . . . . 10.0 113.093 -169.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -6.25 41.78 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.447 -0.783 . . . . 10.0 112.421 175.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.8 m -155.5 152.66 29.18 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.675 -1.266 . . . . 10.0 110.196 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -54.97 -47.97 73.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.653 1.181 . . . . 10.0 111.798 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -51.03 -46.92 61.74 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.957 -0.464 . . . . 10.0 111.073 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.2 -51.54 69.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -49.36 -47.94 47.11 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.301 0.64 . . . . 10.0 111.874 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.88 -47.92 73.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.873 -0.517 . . . . 10.0 111.195 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -53.34 -61.52 2.25 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.338 0.3 OUTLIER -64.79 -29.35 70.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.994 0.815 . . . . 10.0 112.394 -173.541 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.22 -51.67 55.4 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.491 1.041 . . . . 10.0 111.082 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.18 85.19 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.776 -0.577 . . . . 10.0 110.301 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.25 -51.07 67.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.086 0.954 . . . . 10.0 110.307 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -51.52 -53.08 41.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.369 0.531 . . . . 10.0 110.118 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.4 mt -53.66 -51.8 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 117.923 0.329 . . . . 10.0 111.254 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -49.53 -57.23 7.45 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.029 1.332 . . . . 10.0 109.183 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -56.7 -50.61 71.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.904 -0.569 . . . . 10.0 111.321 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.3 mt -49.78 -59.3 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 118.697 0.681 . . . . 10.0 109.786 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -52.9 -52.52 57.32 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.977 0.353 . . . . 10.0 110.679 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -55.53 -40.03 71.31 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -73.66 -59.82 2.54 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.161 0.505 . . . . 10.0 110.168 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.3 -39.29 63.86 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.451 1.1 . . . . 10.0 111.642 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -72.61 -9.75 58.96 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 117.591 -1.195 . . . . 10.0 114.203 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -32.53 -51.4 0.27 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 116.023 1.861 . . . . 10.0 116.023 -169.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -73.08 75.3 1.23 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 170.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -74.65 -158.05 0.07 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.71 1.204 . . . . 10.0 108.779 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.06 70.3 0.06 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.291 1.436 . . . . 10.0 110.116 171.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -77.81 56.89 1.59 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.548 1.939 . . . . 10.0 112.366 -169.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -77.38 61.51 2.22 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.788 0.835 . . . . 10.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.095 -1.431 . . . . 10.0 108.827 -179.38 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.554 -0.165 . . . . 10.0 110.554 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -35.24 -52.54 0.6 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.904 1.682 . . . . 10.0 114.546 -178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -60.42 -46.07 91.33 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.856 0.463 . . . . 10.0 110.664 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -43.88 96.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.627 0.771 . . . . 10.0 109.15 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.26 -54.77 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.888 0.475 . . . . 10.0 109.775 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -65.48 -44.68 86.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.275 -0.266 . . . . 10.0 110.695 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -54.45 -53.34 55.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.179 0.592 . . . . 10.0 110.232 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.11 -51.47 69.18 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.576 0.351 . . . . 10.0 110.948 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.51 -49.95 74.67 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.398 0.679 . . . . 10.0 110.171 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.28 -43.6 98.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.554 1.142 . . . . 10.0 111.283 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.9 tp -46.07 -52.76 11.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.344 1.058 . . . . 10.0 112.159 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.67 -52.0 67.53 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 76.5 mtp -54.59 -43.94 72.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.637 0.775 . . . . 10.0 110.201 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -59.97 -14.99 18.56 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 10.0 112.849 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -53.03 -35.08 59.07 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.9 -1.125 . . . . 10.0 109.923 169.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.01 -28.56 69.66 Favored 'General case' 0 C--O 1.224 -0.263 0 O-C-N 121.635 -0.665 . . . . 10.0 111.764 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.43 -53.39 12.35 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 171.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -48.44 -43.1 34.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.808 0.843 . . . . 10.0 111.649 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.49 15.72 24.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.347 1.459 . . . . 10.0 112.957 -173.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -37.14 -72.89 0.05 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.635 1.574 . . . . 10.0 114.294 -170.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 26.48 -108.23 0.01 OUTLIER Glycine 0 CA--C 1.532 1.104 0 C-N-CA 126.387 1.946 . . . . 10.0 113.617 -175.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -85.68 -45.96 11.18 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.825 0.85 . . . . 10.0 110.276 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -55.78 -31.65 62.78 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.784 1.234 . . . . 10.0 112.307 -169.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -129.2 49.91 2.2 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.591 0.756 . . . . 10.0 109.409 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.232 -1.366 . . . . 10.0 110.924 175.631 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.266 0 N-CA-C 111.064 -0.814 . . . . 10.0 111.064 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.9 t -74.68 72.93 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 123.465 0.706 . . . . 10.0 109.383 -176.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -73.59 70.22 1.3 Allowed 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.927 1.291 . . . . 10.0 111.459 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 10.36 11.11 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.348 1.059 . . . . 10.0 111.748 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.02 -65.56 3.75 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -64.63 -25.48 67.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.777 0.431 . . . . 10.0 111.029 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -39.73 -47.24 2.01 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.852 1.661 . . . . 10.0 111.569 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.62 -37.06 11.85 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 126.517 1.927 . . . . 10.0 112.812 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -69.24 -26.91 65.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.957 0.903 . . . . 10.0 111.58 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.1 t -116.32 94.35 3.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.351 1.06 . . . . 10.0 108.897 -172.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 p -82.23 166.93 19.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.38 1.472 . . . . 10.0 110.983 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -45.65 -41.87 10.81 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.945 1.298 . . . . 10.0 112.356 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.25 -47.93 83.88 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.53 -0.731 . . . . 10.0 110.999 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -67.54 -40.61 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.829 -0.544 . . . . 10.0 109.534 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -53.57 -50.93 64.51 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.71 -0.619 . . . . 10.0 109.8 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.8 m -55.28 -49.24 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.927 1.291 . . . . 10.0 111.133 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -57.43 -50.57 72.6 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.289 0.635 . . . . 10.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -61.72 -45.77 92.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.207 0.603 . . . . 10.0 110.953 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.87 -50.63 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.26 0.624 . . . . 10.0 110.002 171.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.38 -48.13 74.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.857 -0.527 . . . . 10.0 109.919 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.58 -41.59 77.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.42 -0.8 . . . . 10.0 112.347 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.55 -54.61 38.95 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.681 1.128 . . . . 10.0 109.021 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -53.86 -51.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 CA-C-O 118.624 -0.703 . . . . 10.0 109.774 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.62 -47.7 84.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 119.153 0.888 . . . . 10.0 111.45 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.62 98.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.976 -0.453 . . . . 10.0 111.015 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.23 -42.26 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.127 0.571 . . . . 10.0 110.569 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -150.78 88.79 4.49 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 126.77 2.028 . . . . 10.0 109.967 -168.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -53.04 114.89 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.71 2.274 . . . . 10.0 110.346 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -85.74 127.09 64.07 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 123.591 0.756 . . . . 10.0 109.303 -169.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.43 -48.3 19.32 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 124.097 3.198 . . . . 10.0 114.039 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -156.89 143.14 13.08 Favored Pre-proline 0 N--CA 1.456 -0.167 0 CA-C-O 117.459 -1.258 . . . . 10.0 107.638 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -42.75 -44.16 8.86 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.224 2.616 . . . . 10.0 113.659 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.44 -33.54 54.49 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.643 -0.661 . . . . 10.0 112.236 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.62 -25.42 60.09 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.4 0.68 . . . . 10.0 111.765 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.65 -17.67 16.07 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.24 -20.31 66.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.851 0.75 . . . . 10.0 112.769 173.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -64.81 144.79 57.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.141 0.882 . . . . 10.0 110.327 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -41.02 71.81 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.704 -0.622 . . . . 10.0 112.368 -171.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.58 -44.5 90.48 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.381 -0.824 . . . . 10.0 109.006 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.2 tpt -56.37 -48.02 77.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.039 0.535 . . . . 10.0 110.172 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.07 -43.31 73.79 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.122 0.969 . . . . 10.0 110.983 174.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.04 -42.14 97.92 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.671 -0.643 . . . . 10.0 110.76 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -43.19 96.72 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.524 -0.735 . . . . 10.0 110.191 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.71 -49.35 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 122.977 0.511 . . . . 10.0 109.917 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.15 76.8 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.996 0.518 . . . . 10.0 110.672 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -52.67 -51.35 60.6 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.664 0.386 . . . . 10.0 110.239 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.35 84.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.564 0.346 . . . . 10.0 111.026 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -54.29 -53.5 52.97 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.041 0.536 . . . . 10.0 110.281 174.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.65 -54.12 45.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.343 0.657 . . . . 10.0 110.564 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -45.28 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 122.789 0.436 . . . . 10.0 110.47 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.82 -46.54 78.07 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.827 0.739 . . . . 10.0 110.862 173.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -51.7 43.31 Favored Glycine 0 CA--C 1.533 1.183 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -53.77 -48.29 69.88 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.97 -0.723 . . . . 10.0 110.744 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.5 mmt -59.75 -45.17 93.06 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.453 -0.308 . . . . 10.0 111.308 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -55.63 -46.12 77.47 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.15 0.58 . . . . 10.0 110.269 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.5 -40.99 89.53 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.544 0.737 . . . . 10.0 111.319 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -71.76 -46.53 58.1 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.271 0.558 . . . . 10.0 111.838 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 113.42 2.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.911 1.285 . . . . 10.0 113.985 -169.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -61.62 -30.87 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.815 0.846 . . . . 10.0 112.747 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 m -140.57 157.22 45.79 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.633 1.173 . . . . 10.0 109.868 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -55.58 -49.54 72.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.857 0.837 . . . . 10.0 110.736 175.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.31 -46.58 25.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.053 0.941 . . . . 10.0 110.993 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.55 -52.08 65.9 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -50.36 -48.42 55.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.477 1.111 . . . . 10.0 111.503 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -61.12 -53.02 62.24 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 121.626 -0.671 . . . . 10.0 110.947 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -52.11 -61.14 2.45 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.695 0.398 . . . . 10.0 111.777 -178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.351 0.3 OUTLIER -66.58 -27.34 67.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.745 -175.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.5 mt -65.56 -51.83 56.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.244 1.383 . . . . 10.0 110.639 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.69 -47.18 77.21 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.061 -0.399 . . . . 10.0 110.199 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.12 -43.38 95.66 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.029 0.532 . . . . 10.0 110.839 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -56.95 -51.98 67.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.462 -0.773 . . . . 10.0 110.014 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.77 -53.59 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.045 0.384 . . . . 10.0 110.162 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.14 -56.75 8.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.812 1.245 . . . . 10.0 109.593 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.15 -48.71 79.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.463 -0.78 . . . . 10.0 111.296 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.93 -55.59 13.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 119.218 0.917 . . . . 10.0 109.24 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.17 -54.68 27.76 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.83 -0.605 . . . . 10.0 110.324 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -51.44 -58.6 5.81 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.761 0.71 . . . . 10.0 111.656 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -51.54 -56.23 14.59 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.774 1.23 . . . . 10.0 111.651 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.45 -60.81 2.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.471 1.109 . . . . 10.0 109.629 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -49.08 -60.46 2.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.468 1.507 . . . . 10.0 111.249 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -72.81 -39.84 66.33 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -168.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -100.15 -50.13 4.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.766 0.712 . . . . 10.0 112.199 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -82.83 -51.96 7.17 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 121.584 -0.697 . . . . 10.0 110.508 -169.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -81.94 -60.6 2.17 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.988 0.915 . . . . 10.0 110.787 -170.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.4 t 20.75 -94.08 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.262 2.625 . . . . 10.0 114.067 -169.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.424 ' CD ' ' H ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -59.3 -32.17 69.8 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.91 0.777 . . . . 10.0 112.511 -174.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.8 tp . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.225 -1.369 . . . . 10.0 108.497 179.164 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -48.07 -46.94 34.14 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.623 0.769 . . . . 10.0 112.306 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -57.33 -47.4 81.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.988 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -44.13 95.25 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.62 -56.09 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.354 0.661 . . . . 10.0 109.584 173.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -66.28 -46.74 75.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.138 -0.351 . . . . 10.0 111.451 -173.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.38 -50.02 72.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.07 0.395 . . . . 10.0 110.017 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.4 tp -56.0 -51.89 66.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.975 0.91 . . . . 10.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.02 -54.92 41.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.471 0.653 . . . . 10.0 110.17 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.78 -43.28 80.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.891 1.276 . . . . 10.0 111.216 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.78 -52.44 40.8 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.695 0.798 . . . . 10.0 110.691 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.73 -51.7 61.0 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.9 mtt -49.42 -38.41 29.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.992 0.517 . . . . 10.0 112.306 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.7 m -66.46 -15.83 63.65 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 45.8 m -49.73 -47.85 50.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.597 1.09 . . . . 10.0 111.51 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.21 -39.72 79.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.172 0.442 . . . . 10.0 112.006 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -61.99 -50.12 73.34 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 122.014 -0.429 . . . . 10.0 109.984 176.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.55 -46.28 84.11 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.348 -0.22 . . . . 10.0 110.536 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.9 tp -55.32 -51.44 66.74 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.56 1.144 . . . . 10.0 110.297 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -57.77 -43.88 85.78 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.048 -0.407 . . . . 10.0 110.373 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.59 -51.33 59.36 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 123.557 0.599 . . . . 10.0 112.394 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.86 87.19 2.59 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.008 1.323 . . . . 10.0 108.553 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.4 ' H ' ' CD ' ' B' ' 110' ' ' GLN . 12.3 mp0 -52.97 -47.43 68.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.893 1.277 . . . . 10.0 111.725 -173.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.51 61.92 5.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.345 0.658 . . . . 10.0 109.653 -172.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.341 -1.314 . . . . 10.0 108.809 -179.788 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 N-CA-C 110.907 -0.877 . . . . 10.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.73 66.62 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.73 1.212 . . . . 10.0 110.501 -170.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.55 73.26 0.37 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.168 0.987 . . . . 10.0 111.102 -176.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.3 28.95 1.18 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.206 1.003 . . . . 10.0 110.93 -174.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.1 -66.12 1.87 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.718 -1.239 . . . . 10.0 110.666 -172.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -69.46 -19.54 63.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.603 1.161 . . . . 10.0 112.862 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -42.75 -42.86 3.71 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 125.893 1.677 . . . . 10.0 113.377 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.86 -32.07 5.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.93 1.292 . . . . 10.0 113.054 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -74.23 -28.93 61.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.038 0.535 . . . . 10.0 112.045 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.9 t -118.6 92.38 2.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 124.19 0.996 . . . . 10.0 110.775 -169.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -80.85 165.74 21.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.052 1.741 . . . . 10.0 111.526 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -48.86 -41.41 33.09 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.498 1.119 . . . . 10.0 112.144 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -58.76 4.55 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.25 1.02 . . . . 10.0 110.47 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -51.44 -49.76 61.08 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.666 0.666 . . . . 10.0 110.736 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 t -61.18 -46.83 88.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.821 0.848 . . . . 10.0 110.413 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -55.2 -48.83 73.27 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.07 -47.85 84.14 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 10.0 111.083 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.8 t -49.25 -50.42 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 119.064 0.847 . . . . 10.0 110.448 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -55.66 -49.6 72.49 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.661 -0.649 . . . . 10.0 110.478 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.73 -39.93 68.75 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.696 -0.668 . . . . 10.0 111.756 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -57.86 -53.08 62.31 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 119.509 1.05 . . . . 10.0 109.728 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.56 -51.2 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 119.093 -0.48 . . . . 10.0 109.741 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -57.46 -49.65 75.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.482 0.583 . . . . 10.0 111.908 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.23 99.26 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.478 0.711 . . . . 10.0 110.691 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.82 -49.28 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.292 0.637 . . . . 10.0 109.798 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -159.35 99.21 1.57 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.242 1.417 . . . . 10.0 110.276 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -56.03 128.95 32.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.439 2.759 . . . . 10.0 112.224 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.9 p -93.16 119.22 67.75 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-O 118.037 -0.982 . . . . 10.0 110.648 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.45 -37.08 61.03 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.412 2.741 . . . . 10.0 114.584 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -151.88 135.66 9.66 Favored Pre-proline 0 C--N 1.341 0.213 0 CA-C-O 117.788 -1.101 . . . . 10.0 109.361 -175.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -42.74 -45.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.793 2.995 . . . . 10.0 113.857 171.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.0 -34.31 55.72 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.575 -0.703 . . . . 10.0 112.054 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.35 51.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.267 0.627 . . . . 10.0 111.655 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.71 -25.89 20.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.274 0.63 . . . . 10.0 112.251 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.99 -20.37 65.02 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.52 138.89 57.96 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.89 0.768 . . . . 10.0 110.727 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -56.85 -30.08 63.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -80.24 -41.03 25.87 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.432 0.56 . . . . 10.0 110.496 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.8 mmm -59.78 -43.37 94.42 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.443 -0.786 . . . . 10.0 110.87 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -51.0 -36.9 41.76 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.844 0.458 . . . . 10.0 110.562 171.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.733 -0.604 . . . . 10.0 111.536 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.65 -47.18 84.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.43 -53.74 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.487 1.115 . . . . 10.0 109.19 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.49 -49.26 73.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.825 0.85 . . . . 10.0 110.851 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -54.62 -52.46 62.15 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 122.614 0.365 . . . . 10.0 110.414 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.92 87.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.619 0.768 . . . . 10.0 111.027 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.57 -54.4 46.4 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.458 0.572 . . . . 10.0 110.235 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -52.55 -55.39 22.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.808 0.843 . . . . 10.0 110.833 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -48.49 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.856 0.862 . . . . 10.0 110.45 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.25 -47.82 77.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.393 0.997 . . . . 10.0 110.736 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.12 -55.6 25.4 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -48.95 -51.1 32.26 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.866 0.867 . . . . 10.0 110.881 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.8 mmt -62.03 -44.79 95.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.777 -0.63 . . . . 10.0 111.204 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.37 -49.11 70.6 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.029 0.832 . . . . 10.0 110.023 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.97 -35.24 74.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -73.12 -38.7 66.22 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.627 -0.671 . . . . 10.0 112.18 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 108.93 3.44 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.549 1.139 . . . . 10.0 113.371 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -58.24 -36.9 73.89 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.187 0.595 . . . . 10.0 112.182 174.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.0 t -131.79 155.71 47.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.612 1.565 . . . . 10.0 110.156 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -50.47 -39.92 49.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.263 1.425 . . . . 10.0 109.707 169.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.35 -48.54 76.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.995 0.426 . . . . 10.0 110.045 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.51 -51.0 69.15 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -45.89 -53.36 9.95 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.152 0.981 . . . . 10.0 111.662 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.5 -54.3 48.19 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.772 -0.58 . . . . 10.0 111.198 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.19 -60.38 3.36 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.313 0.3 OUTLIER -68.08 -25.67 65.45 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.543 -0.741 . . . . 10.0 112.646 -175.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.94 -54.47 34.04 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 120.202 1.365 . . . . 10.0 110.017 170.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.76 -47.13 74.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.069 -0.395 . . . . 10.0 110.346 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.092 -0.48 . . . . 10.0 111.11 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.93 -48.58 73.6 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 10.0 110.421 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.5 mt -54.64 -54.55 21.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.43 0.633 . . . . 10.0 109.406 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.22 -55.32 15.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.252 1.421 . . . . 10.0 108.795 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -46.51 -61.59 1.75 Allowed 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 124.658 1.183 . . . . 10.0 110.964 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.4 mt -49.33 -63.44 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 119.532 1.06 . . . . 10.0 109.618 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -66.01 -25.09 66.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 119.641 -0.823 . . . . 10.0 112.458 -171.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -65.9 0.95 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.062 0.846 . . . . 10.0 110.871 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -44.93 -44.5 9.8 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 125.891 1.676 . . . . 10.0 111.713 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.46 -17.62 62.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.3 0.64 . . . . 10.0 112.616 -177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -111.52 -65.21 1.19 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.121 1.368 . . . . 10.0 110.587 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -128.79 109.88 11.68 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.975 2.11 . . . . 10.0 109.384 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -77.34 62.26 2.32 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.91 1.284 . . . . 10.0 110.083 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -134.33 -106.0 0.23 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.874 0.87 . . . . 10.0 110.755 -170.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -80.29 62.76 4.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.179 1.391 . . . . 10.0 111.045 -171.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.6 p -90.58 -51.25 5.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 125.828 1.651 . . . . 10.0 111.232 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -59.82 -55.27 36.27 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.138 0.575 . . . . 10.0 110.533 174.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.25 1.087 0 C-N-CA 126.213 1.805 . . . . 10.0 108.038 177.871 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 119.294 -0.384 . . . . 10.0 110.798 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -50.11 -51.01 46.47 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.564 0.62 . . . . 10.0 111.67 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -58.02 -41.91 84.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.456 0.703 . . . . 10.0 111.215 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -52.14 62.82 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 14.4 mm -52.78 -57.4 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.798 0.839 . . . . 10.0 109.775 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -65.69 -47.54 75.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.015 -0.517 . . . . 10.0 111.311 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.08 -45.72 86.67 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.014 0.824 . . . . 10.0 110.373 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.91 -50.21 73.23 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.261 0.482 . . . . 10.0 110.793 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.06 -51.09 69.1 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.506 0.67 . . . . 10.0 110.334 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.92 -30.96 69.53 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.92 1.288 . . . . 10.0 112.627 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 60.9 tp -46.48 -45.55 18.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.37 1.068 . . . . 10.0 110.909 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.39 -52.83 14.29 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.745 0.418 . . . . 10.0 109.974 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.8 mmt -47.34 -41.49 19.51 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.586 0.754 . . . . 10.0 111.43 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.9 m -57.9 -24.95 60.05 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 41.1 m -42.09 -44.14 3.51 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.487 1.04 . . . . 10.0 113.186 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -55.76 -34.52 65.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 -175.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -36.0 75.18 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.616 0.644 . . . . 10.0 110.973 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.57 -50.72 64.1 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.8 tp -50.1 -51.42 43.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.734 1.214 . . . . 10.0 109.748 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -59.44 -51.18 70.98 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.969 1.308 . . . . 10.0 110.189 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.91 -32.32 33.78 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.758 1.171 . . . . 10.0 112.577 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -115.88 32.5 6.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.936 0.868 . . . . 10.0 111.115 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 9.86 56.05 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.584 2.754 . . . . 10.0 115.679 -169.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.11 61.73 7.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.154 0.582 . . . . 10.0 109.966 -172.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.159 -1.4 . . . . 10.0 110.276 -178.148 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 N-CA-C 111.671 -0.572 . . . . 10.0 111.671 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.45 136.25 27.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 122.593 0.357 . . . . 10.0 110.071 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -64.17 -60.96 2.58 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.3 1.048 . . . . 10.0 110.609 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -113.46 158.59 20.5 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.957 2.103 . . . . 10.0 106.58 170.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.34 -53.91 11.13 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.771 1.169 . . . . 10.0 111.662 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -62.27 -15.58 48.29 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.659 1.184 . . . . 10.0 113.711 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -59.35 -25.23 64.05 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.203 -0.936 . . . . 10.0 111.115 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -47.22 -36.19 8.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.601 1.16 . . . . 10.0 111.119 169.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -99.28 -51.02 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.738 1.215 . . . . 10.0 110.559 -177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -79.4 90.89 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.228 0.537 . . . . 10.0 111.104 -175.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -71.14 160.44 32.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.522 1.153 . . . . 10.0 112.971 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -52.14 -39.84 60.54 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.705 -1.134 . . . . 10.0 112.247 174.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -56.08 -48.22 76.53 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.576 0.75 . . . . 10.0 111.517 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.95 -49.26 78.16 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.626 -0.671 . . . . 10.0 109.608 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -51.74 -46.8 64.15 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -58.42 -48.77 79.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.605 1.162 . . . . 10.0 111.374 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -63.25 -39.03 93.44 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.675 -0.64 . . . . 10.0 110.4 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.12 -46.34 89.48 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.047 -1.033 . . . . 10.0 110.865 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -50.99 -51.63 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 121.312 -0.868 . . . . 10.0 110.212 169.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.83 -47.32 64.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.693 -0.67 . . . . 10.0 111.353 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -57.76 -46.66 84.22 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.447 0.699 . . . . 10.0 111.341 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -51.24 -52.53 43.86 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -55.06 -53.03 38.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.885 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -54.1 -50.2 67.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.695 1.134 . . . . 10.0 111.856 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -36.67 84.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.978 0.511 . . . . 10.0 111.499 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.2 mt -74.35 -53.09 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 121.322 0.582 . . . . 10.0 109.693 173.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -137.36 103.18 8.73 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 128.038 2.535 . . . . 10.0 109.878 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.4 107.12 1.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.514 2.143 . . . . 10.0 109.793 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 m -74.49 133.46 77.22 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 -173.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -65.88 -40.64 16.07 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.421 2.081 . . . . 10.0 112.124 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -151.09 140.55 13.84 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 117.417 -1.278 . . . . 10.0 108.059 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -41.59 -45.5 6.3 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.59 2.86 . . . . 10.0 113.979 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.54 62.78 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.608 -0.683 . . . . 10.0 112.004 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -21.74 60.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.527 0.731 . . . . 10.0 112.063 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.44 -26.87 44.53 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.82 0.736 . . . . 10.0 111.76 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -15.68 63.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.32 133.09 54.62 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.363 -0.836 . . . . 10.0 110.09 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -54.15 -24.82 19.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.153 0.981 . . . . 10.0 113.532 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -71.2 -48.91 48.64 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.557 0.617 . . . . 10.0 110.235 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.99 -39.08 87.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.656 0.782 . . . . 10.0 110.822 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -40.26 -39.95 1.04 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.581 1.552 . . . . 10.0 112.348 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -64.11 -50.82 66.78 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.634 0.774 . . . . 10.0 111.326 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.56 -42.63 99.67 Favored 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.12 -52.75 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.069 0.547 . . . . 10.0 109.891 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.69 71.0 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.241 0.616 . . . . 10.0 110.994 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.56 -52.32 62.47 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.384 -0.197 . . . . 10.0 110.546 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.37 80.7 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.578 0.751 . . . . 10.0 111.233 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.14 -53.64 54.7 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.002 0.521 . . . . 10.0 110.722 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -53.79 -55.31 27.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.414 0.686 . . . . 10.0 110.383 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -44.47 98.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.255 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.73 -45.91 77.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.388 -0.82 . . . . 10.0 110.826 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -54.37 28.35 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.089 -0.805 . . . . 10.0 111.089 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.09 -49.79 59.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.027 0.531 . . . . 10.0 111.121 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -61.16 -42.37 98.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.281 -0.39 . . . . 10.0 111.349 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.73 -49.68 75.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.471 0.578 . . . . 10.0 110.29 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.99 -41.79 99.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 111.589 0.218 . . . . 10.0 111.589 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 m -63.08 -43.19 99.21 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.655 0.74 . . . . 10.0 111.845 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 107.14 2.38 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.383 1.087 . . . . 10.0 112.73 -169.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.812 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -149.6 164.19 35.82 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.879 0.871 . . . . 10.0 110.733 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -55.37 -48.81 73.72 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.902 1.681 . . . . 10.0 110.816 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -49.46 -53.56 22.4 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.038 0.535 . . . . 10.0 110.843 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -55.83 -51.5 67.29 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 123.059 0.543 . . . . 10.0 110.157 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -49.46 -52.16 30.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.536 0.607 . . . . 10.0 112.343 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -58.02 -51.81 68.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.995 -0.44 . . . . 10.0 110.616 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -54.47 -60.87 2.76 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -66.07 -30.64 71.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.279 0.945 . . . . 10.0 112.971 -175.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.92 -52.69 47.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.836 1.198 . . . . 10.0 110.923 171.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.06 71.79 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.78 -45.69 91.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.664 0.786 . . . . 10.0 110.72 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -55.26 -54.29 45.28 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.817 0.735 . . . . 10.0 110.248 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' B' ' 95' ' ' LEU . 35.9 mt -50.4 -53.94 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.402 0.62 . . . . 10.0 110.453 174.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.28 -51.49 64.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.694 1.198 . . . . 10.0 110.61 -175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -56.02 -51.16 68.76 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.494 0.718 . . . . 10.0 111.394 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.75 -52.33 17.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -62.39 -46.01 90.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.52 1.054 . . . . 10.0 112.138 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -56.37 -41.32 76.01 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.755 -1.215 . . . . 10.0 111.563 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -78.48 -63.48 1.39 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.342 0.657 . . . . 10.0 111.571 177.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 tp -80.77 -11.68 59.57 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.623 2.369 . . . . 10.0 114.74 -169.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 11.87 84.78 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.366 2.666 . . . . 10.0 115.362 -169.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -84.46 15.53 3.64 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.107 1.363 . . . . 10.0 111.446 172.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -49.29 -32.65 11.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.844 1.657 . . . . 10.0 112.83 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mtm105 -49.81 -41.2 44.2 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.004 . . . . 10.0 111.706 173.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -105.28 -60.14 1.66 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.516 1.526 . . . . 10.0 110.643 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.7 p -55.97 139.83 45.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.811 1.644 . . . . 10.0 113.461 -169.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -59.08 136.55 57.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.019 0.928 . . . . 10.0 109.967 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.893 -1.527 . . . . 10.0 113.099 -174.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 53.7 mttp . . . . . 0 N--CA 1.475 0.782 0 CA-C-O 118.372 -0.823 . . . . 10.0 111.447 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -12.84 -71.3 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.399 2.679 . . . . 10.0 116.193 -171.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -52.39 -54.23 34.68 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.522 0.729 . . . . 10.0 110.531 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -47.85 83.71 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.89 -44.23 48.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 122.987 0.515 . . . . 10.0 110.871 -175.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -72.23 -48.51 42.3 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.852 -0.53 . . . . 10.0 112.056 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.5 -45.45 81.02 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.496 0.589 . . . . 10.0 111.5 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 72' ' ' ILE . 52.1 tp -47.44 -58.0 4.69 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.534 2.334 . . . . 10.0 110.5 172.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.91 -54.71 43.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.024 0.53 . . . . 10.0 110.321 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.38 -44.42 76.08 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.599 1.16 . . . . 10.0 111.402 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.31 -52.45 65.3 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.922 0.889 . . . . 10.0 110.027 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.17 -50.32 74.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 22.0 mmt -50.34 -42.97 53.86 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.264 0.484 . . . . 10.0 111.88 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 69.3 m -65.16 -36.35 83.96 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -174.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -19.74 -63.23 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -169.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.68 -38.02 31.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.733 1.151 . . . . 10.0 113.627 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -62.52 -36.85 83.88 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.843 -0.535 . . . . 10.0 110.346 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -74.92 -42.13 58.36 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.07 0.948 . . . . 10.0 109.673 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.4 tp -52.76 -52.93 54.49 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.187 1.395 . . . . 10.0 110.336 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -69.75 -47.06 64.39 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.69 1.196 . . . . 10.0 109.048 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.81 -47.01 13.9 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.054 0.835 . . . . 10.0 112.223 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.67 -60.41 3.35 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 171.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -79.79 64.35 4.62 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.652 -0.655 . . . . 10.0 110.682 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.73 57.12 0.98 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.333 1.053 . . . . 10.0 112.849 -171.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--O 1.252 1.208 0 CA-C-O 117.314 -1.327 . . . . 10.0 110.307 177.699 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 111.382 -0.687 . . . . 10.0 111.382 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.4 57.9 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 125.292 1.437 . . . . 10.0 112.069 -177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -86.38 -48.07 8.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.8 1.24 . . . . 10.0 111.323 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -91.75 136.91 32.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.444 -1.687 . . . . 10.0 106.444 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.3 -46.72 28.27 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 118.735 0.698 . . . . 10.0 111.925 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -60.93 -12.56 11.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -57.35 -30.01 64.48 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.069 0.849 . . . . 10.0 111.401 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.93 -35.84 6.96 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.356 1.062 . . . . 10.0 111.402 170.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -100.37 -39.48 7.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.876 1.27 . . . . 10.0 111.081 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -91.31 89.9 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.554 0.692 . . . . 10.0 110.011 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -71.95 160.29 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.885 0.85 . . . . 10.0 111.395 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -51.66 -39.08 57.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.738 0.815 . . . . 10.0 111.341 174.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.04 -56.77 9.46 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.28 1.032 . . . . 10.0 110.432 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.25 -45.54 94.11 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -53.88 -49.95 67.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.548 0.613 . . . . 10.0 111.004 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 t -60.99 -45.4 94.98 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.989 0.915 . . . . 10.0 110.247 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -57.52 -50.26 73.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.68 -44.98 82.0 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.098 0.559 . . . . 10.0 111.078 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.8 t -50.49 -51.27 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 119.436 1.016 . . . . 10.0 110.761 170.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.21 -50.31 69.74 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.464 -0.772 . . . . 10.0 110.483 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -51.59 -44.19 62.74 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 118.658 -0.687 . . . . 10.0 111.133 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.3 mt -53.14 -56.67 14.54 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.993 0.815 . . . . 10.0 109.155 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -53.63 -59.83 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-O 118.528 -0.749 . . . . 10.0 110.459 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.59 -37.42 86.15 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.535 1.061 . . . . 10.0 112.507 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.14 86.86 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.304 -0.873 . . . . 10.0 110.589 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.5 mt -68.66 -47.1 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.95 0.5 . . . . 10.0 110.304 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -146.72 91.75 5.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 127.175 2.19 . . . . 10.0 108.788 -169.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.68 119.98 4.22 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.7 2.933 . . . . 10.0 112.95 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.2 p -72.68 121.12 84.12 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-O 117.712 -1.137 . . . . 10.0 110.047 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.12 -45.3 42.0 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.719 2.279 . . . . 10.0 112.783 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -165.63 148.47 6.71 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.466 -1.254 . . . . 10.0 107.741 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.52 -43.79 17.57 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.862 2.375 . . . . 10.0 113.179 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.11 37.02 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.668 -0.645 . . . . 10.0 112.684 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.53 -25.02 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.795 -0.566 . . . . 10.0 111.762 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.1 mt -54.46 -31.53 55.8 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -170.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.28 -20.38 65.63 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.86 131.92 36.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 118.688 0.676 . . . . 10.0 109.606 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -53.41 -47.67 69.37 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.684 0.674 . . . . 10.0 112.677 -172.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.1 -49.64 76.86 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.628 -0.67 . . . . 10.0 109.611 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.7 ttm -58.69 -46.43 87.27 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.838 -0.165 . . . . 10.0 110.626 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.83 -46.99 68.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.551 1.54 . . . . 10.0 110.472 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -61.12 -42.83 99.24 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.897 -0.502 . . . . 10.0 110.516 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -64.81 -39.32 93.4 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.713 -0.617 . . . . 10.0 110.977 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.49 -50.83 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 124.764 1.226 . . . . 10.0 109.053 172.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.62 76.64 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.02 -0.425 . . . . 10.0 110.716 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.66 -53.38 52.77 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 122.763 0.425 . . . . 10.0 110.135 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.38 77.84 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.339 0.656 . . . . 10.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -56.98 -52.82 63.72 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.193 0.451 . . . . 10.0 110.471 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -54.48 -53.68 51.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.391 0.676 . . . . 10.0 110.476 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.53 -51.3 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.977 0.911 . . . . 10.0 110.16 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -53.58 -46.99 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.294 0.952 . . . . 10.0 110.476 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.42 -58.59 10.64 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.624 -0.99 . . . . 10.0 110.624 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.99 -51.52 41.02 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.387 0.675 . . . . 10.0 111.102 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 mmt -57.59 -43.37 84.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.962 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.71 -52.72 64.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 117.907 0.321 . . . . 10.0 110.406 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.17 -40.99 95.98 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.109 -0.369 . . . . 10.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -63.95 -49.02 74.2 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.136 0.574 . . . . 10.0 111.497 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 111.83 3.78 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 122.042 0.925 . . . . 10.0 112.969 -169.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -55.61 -32.8 63.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.523 0.729 . . . . 10.0 112.512 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -155.05 154.4 32.41 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.502 -0.749 . . . . 10.0 110.561 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -48.63 -45.35 38.27 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.438 1.495 . . . . 10.0 112.535 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.29 -49.32 64.39 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.594 0.757 . . . . 10.0 111.318 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.47 -48.24 78.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -50.95 -52.49 41.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.249 0.62 . . . . 10.0 111.918 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.01 -51.17 70.31 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.8 -0.562 . . . . 10.0 110.324 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -53.74 -63.13 1.25 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.507 0.558 . . . . 10.0 112.507 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -65.08 -29.19 70.04 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.83 0.741 . . . . 10.0 112.588 -174.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.09 -54.69 30.11 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.567 1.076 . . . . 10.0 110.488 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.9 -46.39 71.41 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.05 -47.6 80.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.138 0.575 . . . . 10.0 110.842 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -58.84 -47.72 83.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.559 -0.713 . . . . 10.0 110.529 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.438 ' CG2' HD11 ' B' ' 95' ' ' LEU . 87.3 mt -53.13 -53.96 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -52.66 29.26 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.209 1.403 . . . . 10.0 109.42 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -56.31 -58.65 7.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 117.951 -1.024 . . . . 10.0 111.853 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.71 -56.93 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 119.636 1.107 . . . . 10.0 109.188 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.09 -56.48 14.15 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 118.449 -0.786 . . . . 10.0 111.474 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -56.43 -56.88 15.69 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.184 1.356 . . . . 10.0 112.354 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -54.1 -49.79 68.31 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.204 1.402 . . . . 10.0 109.548 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 tp -74.65 -40.26 61.56 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.732 1.213 . . . . 10.0 111.33 -172.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -46.96 -49.26 21.0 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 126.72 2.008 . . . . 10.0 110.086 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.67 -40.45 83.55 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.209 -0.307 . . . . 10.0 111.695 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.22 -47.62 73.24 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.702 -0.624 . . . . 10.0 110.342 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -52.88 -48.64 67.0 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.366 1.066 . . . . 10.0 110.074 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -58.52 -50.03 75.24 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.03 0.532 . . . . 10.0 110.855 173.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -75.56 45.57 0.32 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.67 0.788 . . . . 10.0 112.618 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -78.16 61.56 2.69 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.824 0.85 . . . . 10.0 111.131 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.035 -1.46 . . . . 10.0 109.952 -170.431 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.59 -0.719 . . . . 10.0 110.545 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 0.17 -79.01 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 129.041 2.937 . . . . 10.0 115.616 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -56.58 -47.32 79.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.814 0.446 . . . . 10.0 110.884 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -43.46 98.79 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -58.81 -56.52 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 121.349 0.595 . . . . 10.0 109.573 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -67.27 -44.79 78.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.223 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -56.15 -47.68 77.73 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.438 HD11 ' CG2' ' A' ' 72' ' ' ILE . 46.3 tp -57.73 -49.58 76.07 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.899 0.318 . . . . 10.0 111.2 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.1 -57.95 10.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.522 0.677 . . . . 10.0 110.208 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.4 tp -53.37 -44.98 69.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.047 1.339 . . . . 10.0 110.952 -173.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -47.85 -54.99 10.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.532 1.133 . . . . 10.0 110.14 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.78 -52.18 40.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.3 mmt -45.39 -40.45 8.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.016 0.526 . . . . 10.0 112.356 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -65.14 -24.66 67.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.097 1.147 . . . . 10.0 114.097 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.8 m -36.24 -59.33 0.63 Allowed 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 115.588 1.699 . . . . 10.0 115.588 -168.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -46.96 -41.16 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.69 1.586 . . . . 10.0 113.63 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -66.38 -48.33 70.48 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.574 0.75 . . . . 10.0 109.292 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.42 -48.98 75.85 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.664 0.786 . . . . 10.0 109.773 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.15 -64.14 0.91 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 126.29 1.836 . . . . 10.0 109.021 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -58.17 -45.24 87.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.54 -0.464 . . . . 10.0 110.217 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.15 -25.97 41.21 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.287 0.946 . . . . 10.0 113.424 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -117.92 19.31 13.75 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.594 1.197 . . . . 10.0 111.403 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -77.2 77.41 3.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 121.458 -0.776 . . . . 10.0 110.071 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 58.61 0.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.655 0.782 . . . . 10.0 110.601 172.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 67.9 tp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.374 -1.298 . . . . 10.0 108.871 -176.712 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.245 0 N-CA-C 111.343 -0.703 . . . . 10.0 111.343 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.7 m -44.19 105.13 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.662 1.585 . . . . 10.0 112.639 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -158.78 -36.64 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.091 1.145 . . . . 10.0 114.091 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -68.28 144.97 54.65 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.22 10.64 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.34 0.495 . . . . 10.0 113.013 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -71.69 -28.26 63.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -52.43 -45.58 66.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.668 0.667 . . . . 10.0 110.288 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -35.66 -39.66 0.15 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 127.402 2.281 . . . . 10.0 113.29 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -92.24 -14.05 29.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.107 0.963 . . . . 10.0 112.443 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.71 107.78 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.866 0.866 . . . . 10.0 109.704 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -74.47 160.16 31.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.766 0.793 . . . . 10.0 112.604 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -54.31 -44.99 72.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.738 1.215 . . . . 10.0 110.511 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -60.65 -46.07 91.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.723 -0.611 . . . . 10.0 111.604 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.72 -48.28 81.72 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.198 0.908 . . . . 10.0 110.037 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -51.68 -48.7 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.388 0.275 . . . . 10.0 110.369 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -58.32 -46.95 85.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.393 0.677 . . . . 10.0 111.283 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -65.25 -43.71 90.49 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.766 -0.584 . . . . 10.0 110.546 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.85 -47.3 85.34 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.797 -0.565 . . . . 10.0 110.67 174.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 t -52.66 -44.8 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.8 0.84 . . . . 10.0 110.283 171.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.83 -48.85 78.56 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.151 -0.968 . . . . 10.0 110.468 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -51.39 -42.83 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.058 0.845 . . . . 10.0 111.218 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.11 -51.09 71.16 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.62 0.646 . . . . 10.0 111.233 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.9 t -53.29 -47.38 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.852 -0.594 . . . . 10.0 110.134 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.15 -47.93 77.27 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.066 0.848 . . . . 10.0 111.141 175.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.36 85.23 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.921 -0.487 . . . . 10.0 111.714 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.1 mt -70.31 -40.81 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.877 0.471 . . . . 10.0 110.352 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -162.19 95.15 1.24 Allowed Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 125.03 1.332 . . . . 10.0 109.37 -169.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.91 96.57 0.04 OUTLIER 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.343 3.362 . . . . 10.0 112.819 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.2 m -87.6 135.88 33.63 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 124.125 0.97 . . . . 10.0 108.503 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.47 -49.22 6.13 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.023 2.482 . . . . 10.0 113.93 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.31 141.65 21.75 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-O 117.649 -1.167 . . . . 10.0 108.72 -170.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -40.9 -46.79 4.93 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.529 2.82 . . . . 10.0 113.9 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.79 -38.43 61.13 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.665 -0.647 . . . . 10.0 111.823 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.81 -17.18 62.84 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.034 0.534 . . . . 10.0 111.959 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.87 -27.17 67.93 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.953 0.797 . . . . 10.0 111.187 171.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.4 49.37 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.516 0.726 . . . . 10.0 111.272 -173.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.4 147.17 51.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.103 1.361 . . . . 10.0 110.784 -171.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -47.7 63.7 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.564 1.546 . . . . 10.0 111.964 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -65.52 -57.84 7.25 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 108.499 -0.926 . . . . 10.0 108.499 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.4 mmm -51.42 -39.03 56.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.685 0.794 . . . . 10.0 112.812 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -39.46 -42.86 1.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.688 1.195 . . . . 10.0 111.909 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -66.04 -47.22 75.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 123.341 0.656 . . . . 10.0 110.677 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.46 -45.53 90.4 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -52.95 -53.06 23.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 123.539 0.735 . . . . 10.0 109.363 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -52.03 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.432 0.693 . . . . 10.0 110.966 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.7 -49.93 66.98 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.921 0.328 . . . . 10.0 110.621 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.02 91.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.593 0.357 . . . . 10.0 110.954 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.69 -50.24 73.86 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.143 -0.348 . . . . 10.0 110.502 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.02 -55.74 27.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.458 0.703 . . . . 10.0 110.746 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -47.18 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.81 -34.89 75.22 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.241 -0.912 . . . . 10.0 111.498 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.17 -55.39 26.55 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.078 -1.209 . . . . 10.0 110.078 170.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -51.21 -47.59 62.26 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.097 0.449 . . . . 10.0 110.814 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 mmt -58.61 -43.82 89.73 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 111.769 0.285 . . . . 10.0 111.769 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -62.75 -39.21 93.41 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.458 1.103 . . . . 10.0 110.455 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.6 -46.09 70.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.372 0.669 . . . . 10.0 111.25 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -69.51 -53.26 19.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.821 0.849 . . . . 10.0 111.783 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 123.94 18.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.67 0.788 . . . . 10.0 110.721 -175.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -106.08 23.57 13.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.039 0.536 . . . . 10.0 110.939 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.1 p -161.62 157.82 25.21 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 169.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -64.31 -47.41 79.54 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.255 0.55 . . . . 10.0 109.956 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.3 -45.75 65.68 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.342 0.657 . . . . 10.0 111.192 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.5 -48.72 80.55 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.143 0.883 . . . . 10.0 110.075 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -52.86 -48.66 66.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.643 0.377 . . . . 10.0 111.349 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -58.33 -51.64 68.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.965 -0.459 . . . . 10.0 111.011 172.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -53.83 -60.63 3.07 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.668 0.387 . . . . 10.0 111.791 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -67.17 -31.28 71.6 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.774 0.715 . . . . 10.0 112.875 -175.622 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -65.75 -50.42 64.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.96 1.255 . . . . 10.0 110.677 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.56 75.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.787 0.435 . . . . 10.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.34 -43.4 96.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.104 0.561 . . . . 10.0 110.677 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.66 -47.74 83.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.769 -0.582 . . . . 10.0 110.167 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' B' ' 95' ' ' LEU . 23.5 mt -55.21 -51.59 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 121.741 -0.599 . . . . 10.0 110.73 173.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -51.99 53.32 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.652 1.181 . . . . 10.0 108.819 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -55.32 -59.47 4.75 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.308 1.043 . . . . 10.0 111.328 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.8 mt -43.97 -61.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 123.884 0.874 . . . . 10.0 109.692 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.03 -53.57 54.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.414 -0.327 . . . . 10.0 111.22 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -55.22 -54.6 41.32 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 118.855 0.752 . . . . 10.0 112.536 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -55.56 -53.19 59.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.081 0.952 . . . . 10.0 109.669 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.5 tp -77.36 -16.63 58.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.852 1.661 . . . . 10.0 113.143 -169.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -38.56 108.73 0.09 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.523 1.929 . . . . 10.0 113.721 -172.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -64.58 -33.99 77.22 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.758 1.223 . . . . 10.0 111.249 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -52.12 -46.78 65.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.235 0.471 . . . . 10.0 112.268 -173.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -67.04 -30.31 70.35 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.782 0.719 . . . . 10.0 111.558 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -78.93 -30.86 44.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.049 0.94 . . . . 10.0 110.891 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.0 m -73.18 61.58 0.63 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.7 1.2 . . . . 10.0 112.669 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -88.81 156.05 19.19 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.25 1.02 . . . . 10.0 110.593 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--O 1.251 1.133 0 CA-C-O 116.993 -1.479 . . . . 10.0 110.482 179.106 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -47.67 1.58 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.237 1.015 . . . . 10.0 112.944 173.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -54.02 -51.44 64.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.807 0.843 . . . . 10.0 111.195 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -29.45 61.64 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 119.201 -0.428 . . . . 10.0 110.77 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.15 -57.25 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.17 -45.83 75.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.897 -170.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.55 -49.97 69.05 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.216 0.462 . . . . 10.0 110.136 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.412 HD11 ' CG2' ' A' ' 72' ' ' ILE . 58.5 tp -57.49 -53.78 54.31 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.453 0.301 . . . . 10.0 111.104 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.98 -53.17 61.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.405 0.682 . . . . 10.0 110.103 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.6 -43.77 89.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.941 1.297 . . . . 10.0 111.128 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.42 -50.77 59.06 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.019 0.528 . . . . 10.0 110.538 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.12 -53.39 54.24 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mtt -50.85 -36.87 39.87 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 122.791 0.436 . . . . 10.0 111.93 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.7 m -72.47 -9.82 59.01 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.385 1.254 . . . . 10.0 114.385 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -48.54 -51.83 25.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.57 1.532 . . . . 10.0 113.868 -169.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.04 -36.24 67.8 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 120.756 -1.215 . . . . 10.0 112.48 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -69.97 -40.74 75.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.75 -46.69 74.36 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.631 0.773 . . . . 10.0 110.11 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 mp -57.9 -55.87 29.37 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.157 0.583 . . . . 10.0 110.597 173.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -57.38 -29.69 64.26 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.85 69.3 0.3 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.129 -0.788 . . . . 10.0 111.129 170.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 29.82 52.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 128.125 2.57 . . . . 10.0 114.564 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -133.33 60.38 1.71 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.44 1.096 . . . . 10.0 108.319 171.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.47 70.4 1.26 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.041 0.937 . . . . 10.0 110.679 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 tp . . . . . 0 C--O 1.251 1.156 0 CA-C-O 117.114 -1.422 . . . . 10.0 111.054 177.205 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.201 0 N-CA-C 111.558 -0.617 . . . . 10.0 111.558 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -74.52 54.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.766 1.627 . . . . 10.0 112.472 -173.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -82.67 135.41 35.03 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.298 -0.876 . . . . 10.0 110.69 -176.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -151.58 17.64 0.71 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.723 0.809 . . . . 10.0 111.162 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.56 -66.0 2.04 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.742 -1.343 . . . . 10.0 109.742 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -70.61 -9.74 57.65 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.235 1.014 . . . . 10.0 113.469 -177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -57.71 -37.05 72.84 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.7 1.2 . . . . 10.0 109.895 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -29.93 -46.28 0.06 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 128.785 2.834 . . . . 10.0 114.909 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -112.94 18.79 17.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.626 0.77 . . . . 10.0 112.862 -173.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.11 95.75 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.937 0.895 . . . . 10.0 109.325 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -86.69 164.24 16.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.538 1.135 . . . . 10.0 111.63 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -49.61 -45.22 47.87 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 123.798 0.839 . . . . 10.0 111.413 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.76 -46.8 71.04 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.222 0.464 . . . . 10.0 111.122 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.89 -48.77 77.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -53.39 -50.28 65.47 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 10.0 110.316 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.6 m -54.1 -49.79 68.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.512 1.525 . . . . 10.0 110.553 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.553 ' CD2' HG23 ' B' ' 102' ' ' THR . 5.2 t60 -60.56 -52.38 65.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -52.99 -48.99 67.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.368 0.667 . . . . 10.0 110.423 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.06 -50.38 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.633 -0.667 . . . . 10.0 110.905 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . 0.303 0.5 OUTLIER -64.68 -26.69 68.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 120.179 1.354 . . . . 10.0 113.423 176.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -62.52 -45.47 92.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 119.425 1.012 . . . . 10.0 109.179 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.57 -54.24 48.22 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.933 -0.479 . . . . 10.0 110.6 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.99 -54.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.276 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.75 -35.24 79.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.128 0.876 . . . . 10.0 111.986 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.25 86.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.321 0.509 . . . . 10.0 111.405 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.75 -60.38 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.524 0.678 . . . . 10.0 109.277 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.12 98.83 20.52 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 127.435 2.294 . . . . 10.0 108.283 -169.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.72 85.01 0.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.939 2.426 . . . . 10.0 110.034 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 m -67.88 124.63 89.93 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 124.988 1.315 . . . . 10.0 111.422 -169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.67 -51.09 11.92 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 125.022 3.815 . . . . 10.0 116.207 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.89 142.94 17.1 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 117.801 -1.095 . . . . 10.0 110.685 -169.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.06 -43.91 9.59 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.72 2.946 . . . . 10.0 114.013 170.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -34.49 58.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.614 -0.679 . . . . 10.0 111.946 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -26.3 61.13 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.105 0.562 . . . . 10.0 111.48 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.62 -17.74 35.87 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.05 -22.89 67.04 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.68 0.673 . . . . 10.0 112.241 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.64 135.99 57.17 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.047 0.84 . . . . 10.0 110.927 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -50.96 69.55 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.645 0.778 . . . . 10.0 112.659 -177.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.7 -45.32 94.66 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.819 -0.551 . . . . 10.0 109.545 -178.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 40.6 tpp -59.2 -44.47 92.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.278 -0.264 . . . . 10.0 110.671 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.62 -39.97 78.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.147 0.885 . . . . 10.0 110.491 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -41.56 96.86 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.725 -0.609 . . . . 10.0 110.855 173.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.01 -43.09 88.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.829 0.452 . . . . 10.0 110.319 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -55.03 -50.22 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 124.11 0.964 . . . . 10.0 109.075 171.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.24 78.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.085 0.402 . . . . 10.0 111.051 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.19 -49.64 68.9 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.014 -0.429 . . . . 10.0 110.819 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.44 96.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.057 -0.402 . . . . 10.0 110.933 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -55.8 -50.91 69.22 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.005 -0.435 . . . . 10.0 110.04 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -54.05 -55.18 29.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.183 0.593 . . . . 10.0 110.438 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -44.01 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 119.115 -0.469 . . . . 10.0 110.995 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.3 -47.04 69.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.32 0.964 . . . . 10.0 110.701 171.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.74 -52.64 40.97 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.43 -0.668 . . . . 10.0 111.43 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -51.87 -49.62 62.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.308 0.643 . . . . 10.0 110.456 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 mmt -59.93 -46.76 88.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.27 -0.395 . . . . 10.0 111.297 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -53.33 -51.56 62.01 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.055 0.542 . . . . 10.0 110.229 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -61.56 -43.63 98.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.216 0.606 . . . . 10.0 111.072 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 m -64.97 -41.65 95.26 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.283 0.563 . . . . 10.0 112.152 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 99.63 6.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.165 0.986 . . . . 10.0 112.891 -169.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 47.73 0.84 Allowed 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.449 -1.407 . . . . 10.0 110.91 170.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t 173.34 145.85 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.665 1.986 . . . . 10.0 108.8 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.79 -39.85 93.14 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.013 0.525 . . . . 10.0 110.541 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.0 -44.19 97.78 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.61 -50.32 73.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -50.22 -50.08 50.79 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.914 0.886 . . . . 10.0 111.049 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.44 -54.18 48.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.043 -0.411 . . . . 10.0 110.851 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -54.52 -60.39 3.42 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -176.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.345 0.4 OUTLIER -66.45 -30.77 71.2 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.389 -0.819 . . . . 10.0 112.769 -176.036 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.34 -46.89 75.26 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.796 1.18 . . . . 10.0 110.765 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.19 81.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.856 -0.528 . . . . 10.0 109.971 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -57.88 -49.59 76.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.444 0.697 . . . . 10.0 110.448 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -53.22 -50.79 63.99 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.425 ' CD1' HD23 ' B' ' 99' ' ' LEU . 23.5 mt -55.19 -46.91 77.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.003 0.521 . . . . 10.0 111.669 174.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.59 -57.7 10.39 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.767 0.827 . . . . 10.0 109.058 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -53.51 -52.91 58.08 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.973 -0.537 . . . . 10.0 111.207 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.0 mt -47.79 -63.37 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -53.1 -44.44 67.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.992 -0.528 . . . . 10.0 111.054 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -56.97 12.75 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.112 0.869 . . . . 10.0 111.64 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -52.88 -48.59 67.05 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.686 0.794 . . . . 10.0 111.22 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.94 -50.95 62.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.328 1.051 . . . . 10.0 110.055 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -49.91 -44.17 50.08 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.63 1.172 . . . . 10.0 111.237 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -50.52 -43.22 55.83 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.929 0.344 . . . . 10.0 111.929 172.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -77.18 -38.83 50.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.054 0.942 . . . . 10.0 111.173 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -53.94 -44.1 70.36 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 174.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -69.73 -63.04 1.15 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.243 0.617 . . . . 10.0 111.72 173.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.7 t -88.58 103.67 16.12 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.695 1.198 . . . . 10.0 110.375 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -37.46 79.73 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.761 0.315 . . . . 10.0 110.44 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.387 -1.292 . . . . 10.0 109.288 174.387 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -10.09 -71.78 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 128.679 2.792 . . . . 10.0 115.301 174.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -54.35 -50.85 66.49 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.833 0.853 . . . . 10.0 112.072 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -42.62 97.77 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.749 0.82 . . . . 10.0 109.507 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.77 -54.29 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.58 -50.14 68.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.124 -0.36 . . . . 10.0 110.425 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -54.05 -47.04 72.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.492 0.317 . . . . 10.0 110.422 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.52 -51.16 71.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.448 0.567 . . . . 10.0 111.031 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.06 -50.2 67.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.244 0.545 . . . . 10.0 109.891 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.03 -40.13 92.44 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.722 1.209 . . . . 10.0 111.974 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.08 -44.43 64.36 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.221 1.008 . . . . 10.0 111.845 -172.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 72' ' ' ILE . 1.6 tm? -66.53 -48.32 70.1 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 121.813 -0.554 . . . . 10.0 110.122 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 42.9 mtt -53.48 -43.98 68.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.497 0.665 . . . . 10.0 109.881 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -60.41 -8.71 2.86 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.11 1.364 . . . . 10.0 113.972 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.553 HG23 ' CD2' ' A' ' 17' ' ' HIS . 71.9 m -49.41 -47.79 47.67 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 121.539 1.972 . . . . 10.0 111.958 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.96 -37.17 78.8 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.525 -0.735 . . . . 10.0 111.167 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -62.61 -44.09 97.17 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.054 0.542 . . . . 10.0 110.45 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -55.58 -48.93 74.01 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.718 0.69 . . . . 10.0 110.413 172.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 38.9 mt -56.0 -54.97 38.39 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.75 0.42 . . . . 10.0 110.806 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -55.44 -44.62 76.49 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.542 0.737 . . . . 10.0 110.87 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.27 -52.7 47.69 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.232 -0.747 . . . . 10.0 111.232 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -55.26 -36.19 65.8 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.404 1.082 . . . . 10.0 110.943 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -68.28 -60.25 2.59 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.082 0.553 . . . . 10.0 110.071 171.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.19 58.69 2.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.292 1.037 . . . . 10.0 111.969 -170.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.14 -1.409 . . . . 10.0 110.496 175.943 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 111.324 -0.711 . . . . 10.0 111.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 m -64.13 -33.65 63.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 118.207 1.004 . . . . 10.0 111.685 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -84.6 111.6 19.68 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 118.279 0.491 . . . . 10.0 109.962 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -132.86 10.17 4.24 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.704 1.202 . . . . 10.0 111.734 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.96 -61.92 3.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.065 -1.214 . . . . 10.0 110.065 -170.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -65.91 -31.49 72.45 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.382 0.673 . . . . 10.0 111.841 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -38.61 -55.19 1.47 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.315 1.846 . . . . 10.0 112.574 -172.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.94 -25.17 68.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.797 1.239 . . . . 10.0 112.873 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.45 -19.4 62.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.887 0.475 . . . . 10.0 110.725 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.0 t -102.48 102.93 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -67.68 161.33 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.315 0.646 . . . . 10.0 111.848 -174.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -53.34 -43.32 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.489 170.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.97 -45.66 91.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.231 -0.414 . . . . 10.0 110.655 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.16 -45.45 93.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.01 0.823 . . . . 10.0 111.021 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -53.44 -49.36 67.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.499 -0.75 . . . . 10.0 109.706 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -56.44 -48.11 77.69 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.035 0.934 . . . . 10.0 111.545 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.13 -44.41 94.94 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.347 1.059 . . . . 10.0 109.914 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.93 -47.44 80.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.739 -0.601 . . . . 10.0 110.428 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -49.84 -51.34 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 118.906 0.776 . . . . 10.0 110.404 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -53.07 -52.21 59.29 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.765 -0.585 . . . . 10.0 110.628 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -52.97 -42.1 65.19 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.754 0.707 . . . . 10.0 112.055 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.44 -52.19 66.37 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.44 1.018 . . . . 10.0 109.561 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.6 t -53.88 -50.86 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.727 -0.654 . . . . 10.0 110.025 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -58.48 -47.16 84.97 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.734 0.697 . . . . 10.0 112.002 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.52 98.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.573 0.749 . . . . 10.0 110.408 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.24 -62.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.619 -0.882 . . . . 10.0 108.619 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -130.55 98.88 19.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 127.256 2.222 . . . . 10.0 109.868 -169.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.23 107.34 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 121.678 1.585 . . . . 10.0 109.945 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -68.32 137.84 91.54 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-O 118.911 -0.566 . . . . 10.0 110.273 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.68 -38.81 37.53 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.21 2.606 . . . . 10.0 112.764 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -151.06 138.06 11.78 Favored Pre-proline 0 N--CA 1.452 -0.345 0 N-CA-C 107.442 -1.318 . . . . 10.0 107.442 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -45.69 -39.75 18.37 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.244 2.629 . . . . 10.0 112.963 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.92 18.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.421 0.688 . . . . 10.0 112.736 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.48 -13.36 62.09 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.784 0.833 . . . . 10.0 112.579 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.6 mt -54.93 -37.48 66.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.123 0.874 . . . . 10.0 112.083 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -78.92 56.52 1.96 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.737 -0.602 . . . . 10.0 111.571 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -126.89 145.45 50.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.174 1.39 . . . . 10.0 110.095 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -50.45 -42.53 54.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.009 1.324 . . . . 10.0 112.173 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.64 -56.54 6.22 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.5 mmm -51.44 -38.31 53.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.373 1.069 . . . . 10.0 112.713 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -43.64 -36.36 2.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.182 0.993 . . . . 10.0 112.733 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.36 -48.74 71.91 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.864 -0.523 . . . . 10.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.49 -43.86 96.04 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -54.8 -52.57 41.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.337 0.655 . . . . 10.0 109.69 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.9 -50.94 69.3 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.255 0.622 . . . . 10.0 110.897 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -54.4 -51.7 64.06 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 122.632 0.373 . . . . 10.0 110.488 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.55 82.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.219 0.608 . . . . 10.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.51 -53.24 59.79 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.309 0.504 . . . . 10.0 110.319 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -52.31 -55.06 23.95 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.37 0.668 . . . . 10.0 110.943 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.88 -46.57 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 122.916 0.487 . . . . 10.0 110.664 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.37 -47.57 81.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 119.152 0.887 . . . . 10.0 110.247 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.59 -55.8 20.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.565 -1.014 . . . . 10.0 110.565 174.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -49.99 -51.5 41.18 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.415 0.686 . . . . 10.0 110.997 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.7 mmt -61.83 -42.61 99.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.055 -0.497 . . . . 10.0 111.387 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -56.26 -48.76 75.92 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.693 0.678 . . . . 10.0 110.14 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -64.11 -35.48 80.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.363 0.665 . . . . 10.0 112.404 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.8 m -78.43 -46.74 19.05 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 117.17 4.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.181 1.392 . . . . 10.0 114.279 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 p30 -72.88 -8.26 54.77 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.508 1.123 . . . . 10.0 113.367 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -158.4 152.62 24.12 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.967 -1.124 . . . . 10.0 107.967 -174.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.1 -40.75 74.15 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.426 0.69 . . . . 10.0 110.09 170.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.58 -47.89 80.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.379 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -58.77 -52.6 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 176.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -47.08 -52.11 16.03 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.737 1.215 . . . . 10.0 111.551 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.93 -54.27 48.12 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.786 -0.571 . . . . 10.0 111.264 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -52.12 -62.66 1.5 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.253 0.621 . . . . 10.0 112.155 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.323 0.4 OUTLIER -65.68 -28.49 69.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.508 -0.758 . . . . 10.0 112.625 -175.708 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.36 -56.01 19.8 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 120.024 1.284 . . . . 10.0 110.183 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.8 70.44 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.291 -0.256 . . . . 10.0 110.584 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.08 -46.14 85.96 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.165 0.586 . . . . 10.0 110.949 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.94 -51.22 70.03 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.579 -0.701 . . . . 10.0 110.28 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.37 -54.39 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -50.05 -55.07 16.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 10.0 109.572 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -57.5 -52.11 66.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.258 0.623 . . . . 10.0 111.826 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.5 mt -50.0 -52.87 12.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -56.31 -58.5 7.71 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.505 0.593 . . . . 10.0 111.337 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -48.51 -49.48 35.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.733 0.813 . . . . 10.0 112.31 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.32 -56.04 5.01 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.87 0.868 . . . . 10.0 111.32 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.1 tp -75.3 -42.05 55.61 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.562 1.145 . . . . 10.0 111.519 -169.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -109.37 77.79 1.09 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 106.968 -1.493 . . . . 10.0 106.968 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -19.6 108.59 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 128.841 2.856 . . . . 10.0 114.555 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -30.59 -18.69 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 130.813 3.645 . . . . 10.0 119.674 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.42 -40.71 7.74 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.076 1.307 . . . . 10.0 110.528 175.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -82.55 -36.1 26.59 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.165 1.386 . . . . 10.0 110.581 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.5 p 46.6 -111.8 0.36 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.014 1.326 . . . . 10.0 111.847 -169.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -84.85 -5.86 59.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.262 0.625 . . . . 10.0 112.157 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.2 tp . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.017 -1.468 . . . . 10.0 110.049 178.702 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.38 -0.23 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -55.09 -37.33 66.67 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.12 -0.987 . . . . 10.0 110.55 172.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -47.81 -52.73 17.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.922 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -53.87 -56.58 16.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.51 1.524 . . . . 10.0 108.202 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -49.56 -53.16 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 122.996 0.519 . . . . 10.0 109.832 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -65.14 -58.19 6.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.635 -0.698 . . . . 10.0 111.777 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.69 -42.74 71.79 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.499 1.045 . . . . 10.0 110.825 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.21 -49.98 73.6 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.89 0.876 . . . . 10.0 111.124 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.22 -54.86 40.77 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.491 0.662 . . . . 10.0 109.663 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.94 -38.93 80.13 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.44 1.096 . . . . 10.0 111.669 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 57.8 tp -48.02 -50.98 25.86 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.435 0.694 . . . . 10.0 110.496 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.49 -53.26 20.02 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 26.0 mmt -48.29 -42.56 31.22 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.696 -0.627 . . . . 10.0 112.499 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.7 p -56.43 -23.88 41.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.889 0.876 . . . . 10.0 113.309 -175.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.9 m -51.51 -35.4 40.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.863 -0.589 . . . . 10.0 112.192 -173.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.1 -53.67 55.71 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.315 0.961 . . . . 10.0 111.091 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -42.22 86.03 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 121.89 -0.506 . . . . 10.0 109.648 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -56.97 -47.61 80.36 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.568 0.347 . . . . 10.0 110.078 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.9 tp -59.91 -58.63 7.7 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.324 1.45 . . . . 10.0 109.201 175.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -52.4 -37.03 55.56 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.836 0.289 . . . . 10.0 111.191 -176.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.66 -75.5 0.41 Allowed Glycine 0 CA--C 1.532 1.131 0 N-CA-C 111.471 -0.652 . . . . 10.0 111.471 169.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -55.09 -44.58 75.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.79 0.836 . . . . 10.0 112.798 -169.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.41 -19.35 63.81 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.807 0.843 . . . . 10.0 111.836 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -95.47 -41.75 8.81 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.684 0.674 . . . . 10.0 110.65 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.504 -1.236 . . . . 10.0 111.261 -176.703 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.204 0 N-CA-C 111.566 -0.614 . . . . 10.0 111.566 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -76.84 64.28 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.684 0.793 . . . . 10.0 111.224 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -28.77 -61.15 0.12 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.319 2.248 . . . . 10.0 113.898 -173.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -112.27 22.19 14.99 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.377 1.071 . . . . 10.0 110.943 -171.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.52 -73.36 0.77 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -52.67 -24.85 9.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.763 1.225 . . . . 10.0 111.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -34.25 -44.85 0.2 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.251 1.82 . . . . 10.0 111.293 169.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.75 -33.69 10.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.852 1.261 . . . . 10.0 113.429 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -75.05 -18.39 60.32 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.584 1.154 . . . . 10.0 112.379 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.63 130.16 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.461 0.705 . . . . 10.0 111.875 -169.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -88.05 158.41 18.61 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.092 0.957 . . . . 10.0 111.123 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -57.77 -42.6 84.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.913 0.885 . . . . 10.0 108.97 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.04 -49.32 71.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.126 0.971 . . . . 10.0 110.173 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.7 -48.06 83.19 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.974 -0.536 . . . . 10.0 110.915 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -52.58 -50.6 62.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.48 1.036 . . . . 10.0 110.594 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.2 m -55.08 -52.2 63.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.116 0.966 . . . . 10.0 110.964 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -66.4 -31.34 72.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.726 0.811 . . . . 10.0 110.656 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -67.63 -50.78 56.37 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.924 -1.11 . . . . 10.0 110.383 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.51 -50.7 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 171.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -49.04 -51.63 30.04 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.555 -0.735 . . . . 10.0 110.835 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -40.48 72.98 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 119.088 0.858 . . . . 10.0 110.099 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 72' ' ' ILE . 23.5 mt -55.82 -58.16 9.01 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 174.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -54.32 -63.14 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -38.43 -50.18 1.5 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.697 2.799 . . . . 10.0 112.494 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.75 -54.08 18.13 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 122.035 -0.416 . . . . 10.0 110.671 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.88 -39.57 82.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 122.827 0.451 . . . . 10.0 110.48 -176.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -151.94 103.02 2.83 Favored Pre-proline 0 N--CA 1.449 -0.501 0 C-N-CA 127.359 2.264 . . . . 10.0 107.796 -169.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.3 125.11 12.97 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.549 1.499 . . . . 10.0 110.802 -173.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 p -69.9 118.94 68.08 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.698 1.199 . . . . 10.0 110.161 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.74 -43.38 59.73 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.659 2.239 . . . . 10.0 112.468 173.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -162.85 147.04 9.05 Favored Pre-proline 0 CA--C 1.53 0.183 0 N-CA-C 106.797 -1.557 . . . . 10.0 106.797 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.03 -44.54 14.96 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.819 2.346 . . . . 10.0 113.393 172.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.63 -31.48 62.34 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.614 -0.679 . . . . 10.0 112.18 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.57 -25.41 59.95 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.978 -0.451 . . . . 10.0 111.474 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.65 -18.65 32.46 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.43 0.559 . . . . 10.0 112.36 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -66.29 -21.05 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.641 0.655 . . . . 10.0 112.299 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.7 149.43 39.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.889 0.768 . . . . 10.0 110.912 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -63.63 -51.68 64.14 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.189 0.596 . . . . 10.0 112.207 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -59.78 -44.77 93.74 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -57.14 -53.05 62.45 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.791 -0.623 . . . . 10.0 110.511 174.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.13 -40.85 67.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.227 0.921 . . . . 10.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -62.25 -46.18 90.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.826 -0.546 . . . . 10.0 110.902 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.3 -38.99 93.02 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.436 -0.79 . . . . 10.0 110.973 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.32 -48.84 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.254 1.422 . . . . 10.0 109.086 172.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.75 80.27 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.951 -0.468 . . . . 10.0 110.543 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.71 -50.75 67.55 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.386 -0.196 . . . . 10.0 110.476 174.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.9 -47.88 76.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.924 0.489 . . . . 10.0 111.187 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.18 -53.06 61.63 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.197 0.599 . . . . 10.0 110.52 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -52.6 -56.78 12.92 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.483 0.713 . . . . 10.0 110.332 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -42.65 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -57.39 -48.15 79.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.97 0.804 . . . . 10.0 110.207 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.56 -50.35 57.51 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.457 -0.657 . . . . 10.0 111.457 174.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.62 -50.85 64.81 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.164 -0.609 . . . . 10.0 110.658 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.12 -41.58 96.95 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 119.413 -0.327 . . . . 10.0 111.122 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.0 -51.24 64.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.975 0.51 . . . . 10.0 110.415 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -63.29 -40.33 97.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.085 0.554 . . . . 10.0 111.125 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 m -67.72 -42.92 81.15 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.926 -0.484 . . . . 10.0 112.186 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.25 121.01 19.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.715 1.206 . . . . 10.0 111.905 -169.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.68 22.85 5.87 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.679 -0.638 . . . . 10.0 110.373 173.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 t -165.63 148.97 7.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -53.31 -46.28 69.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.145 0.978 . . . . 10.0 109.278 169.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.24 -42.25 98.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.072 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.28 -53.44 57.65 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -46.53 -51.31 15.73 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.574 1.15 . . . . 10.0 111.325 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -56.05 -56.97 14.38 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.774 -0.579 . . . . 10.0 111.353 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.73 -58.19 8.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.325 0.4 OUTLIER -66.38 -28.02 68.32 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.643 -0.661 . . . . 10.0 112.169 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.18 -52.65 57.94 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 119.762 1.164 . . . . 10.0 110.387 169.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.16 -47.74 71.62 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.369 . . . . 10.0 110.593 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -57.58 -49.41 76.48 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.006 0.523 . . . . 10.0 110.787 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -54.64 -50.72 67.46 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.886 -0.509 . . . . 10.0 110.296 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.414 HD11 HD23 ' A' ' 22' ' ' LEU . 96.7 mt -53.2 -51.07 42.98 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 175.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -55.5 16.21 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.629 0.772 . . . . 10.0 109.409 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -56.89 -50.08 73.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.006 -0.521 . . . . 10.0 111.808 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.03 -53.54 10.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.979 0.809 . . . . 10.0 109.57 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.67 -48.66 80.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.103 0.41 . . . . 10.0 110.525 -176.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -57.22 -55.84 29.57 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.787 0.435 . . . . 10.0 111.85 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -66.79 -50.5 62.47 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.528 0.731 . . . . 10.0 111.635 -175.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.5 tp -79.98 -9.23 59.67 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.091 1.756 . . . . 10.0 112.81 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -37.08 -48.01 0.78 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.553 1.541 . . . . 10.0 113.797 -172.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.55 -47.74 57.62 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.013 0.525 . . . . 10.0 111.884 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -74.35 -36.98 63.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.443 0.697 . . . . 10.0 109.945 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.8 mtp-105 -56.7 -33.63 66.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.207 0.458 . . . . 10.0 111.245 172.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 mtm105 -73.71 -57.44 3.98 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.107 -0.995 . . . . 10.0 108.934 169.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -77.29 59.12 1.75 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.368 1.067 . . . . 10.0 112.298 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -74.99 75.05 2.2 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.725 -0.609 . . . . 10.0 111.751 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.038 -1.458 . . . . 10.0 110.405 169.422 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.513 -0.181 . . . . 10.0 110.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -44.78 -55.21 5.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.299 1.04 . . . . 10.0 111.333 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -61.54 -36.07 79.54 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.304 -0.862 . . . . 10.0 111.277 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -50.88 61.39 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.28 -51.47 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -66.18 -49.0 68.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 119.032 -0.509 . . . . 10.0 111.488 -173.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.16 -42.53 95.13 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.826 0.739 . . . . 10.0 110.015 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.13 -53.45 57.9 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.652 0.381 . . . . 10.0 110.501 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.62 -48.09 80.38 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.948 0.499 . . . . 10.0 110.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.86 -38.06 89.72 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.421 1.089 . . . . 10.0 112.109 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.4 -54.34 14.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.07 0.948 . . . . 10.0 110.644 -174.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -53.4 49.19 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 18.5 mmt -42.17 -48.52 4.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.678 1.191 . . . . 10.0 111.339 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.7 p -69.55 -9.45 54.03 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.36 1.245 . . . . 10.0 114.36 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.4 m -46.85 -55.64 7.63 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.801 1.037 . . . . 10.0 113.801 -169.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.09 -40.95 77.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.685 1.584 . . . . 10.0 112.221 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.66 -51.96 67.15 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -49.0 72.8 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.697 0.799 . . . . 10.0 110.379 175.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.5 tp -53.66 -60.93 2.68 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.07 1.748 . . . . 10.0 109.619 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -61.03 -39.03 88.24 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.117 -0.633 . . . . 10.0 110.186 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.7 -36.36 8.2 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.71 1.148 . . . . 10.0 112.958 173.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -55.01 -19.92 8.01 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.291 1.045 . . . . 10.0 113.039 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -60.43 -24.23 65.03 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.372 0.987 . . . . 10.0 112.62 175.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.22 63.04 1.83 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.389 0.676 . . . . 10.0 112.018 -172.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.252 1.203 0 CA-C-O 117.388 -1.291 . . . . 10.0 109.676 172.018 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 112.118 -0.393 . . . . 10.0 112.118 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.4 m -87.51 159.93 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 122.795 0.438 . . . . 10.0 110.293 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.6 mmm-85 0.66 -100.41 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 129.068 2.947 . . . . 10.0 115.571 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -83.42 12.57 5.35 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.606 1.094 . . . . 10.0 112.859 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.34 -69.67 1.36 Allowed Glycine 0 CA--C 1.526 0.759 0 O-C-N 120.66 -1.275 . . . . 10.0 110.378 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -53.07 -35.97 60.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.09 0.956 . . . . 10.0 111.807 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -39.36 -39.57 0.68 Allowed 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.683 1.593 . . . . 10.0 112.548 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -49.94 -35.06 22.59 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.171 0.988 . . . . 10.0 113.276 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -104.27 15.44 28.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.16 88.46 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 124.063 0.945 . . . . 10.0 108.517 172.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 p -87.97 163.31 16.39 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.903 1.681 . . . . 10.0 111.916 -171.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -43.15 -43.92 4.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.04 1.736 . . . . 10.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.92 -44.58 89.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.772 -0.58 . . . . 10.0 111.448 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.78 -45.05 91.47 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -53.61 -46.58 70.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.008 -0.433 . . . . 10.0 110.501 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -58.05 -50.15 74.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.842 0.857 . . . . 10.0 111.194 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -63.9 -36.93 85.55 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.833 -0.542 . . . . 10.0 110.467 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.43 -48.31 78.31 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.075 -1.015 . . . . 10.0 110.77 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.92 -49.06 28.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.685 0.675 . . . . 10.0 109.854 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -54.09 -50.65 66.34 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.035 -0.507 . . . . 10.0 110.653 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.67 -43.72 72.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.866 0.757 . . . . 10.0 111.305 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.0 mt -54.07 -54.74 35.26 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.228 0.922 . . . . 10.0 109.68 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.27 -53.84 17.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 CA-C-O 118.368 -0.825 . . . . 10.0 109.653 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -55.81 -51.81 66.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.037 0.835 . . . . 10.0 111.682 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.34 88.82 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.254 0.622 . . . . 10.0 111.233 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.25 -39.95 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 122.626 0.37 . . . . 10.0 110.458 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -155.17 99.83 2.32 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.578 1.551 . . . . 10.0 110.368 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.84 119.57 6.62 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.6 1.533 . . . . 10.0 109.582 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p -75.66 121.05 84.32 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 117.743 -1.123 . . . . 10.0 110.682 -170.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.52 -41.36 60.83 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.047 2.498 . . . . 10.0 113.196 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -158.56 139.29 9.26 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 117.513 -1.232 . . . . 10.0 107.895 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -43.29 -44.03 10.25 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.359 2.706 . . . . 10.0 113.452 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.8 50.35 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.701 -0.624 . . . . 10.0 112.115 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -25.63 39.02 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.746 0.818 . . . . 10.0 111.981 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -55.37 -19.28 8.51 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -59.09 -29.05 67.06 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.773 0.715 . . . . 10.0 112.693 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.48 136.63 54.92 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.582 -0.699 . . . . 10.0 110.775 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -46.27 18.11 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.6 1.16 . . . . 10.0 112.759 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -58.97 -46.46 88.03 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.0 mmm -64.1 -47.48 79.88 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 118.805 -0.617 . . . . 10.0 109.944 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.47 -44.05 65.33 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.132 0.878 . . . . 10.0 110.812 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.34 -45.61 92.43 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.984 -0.447 . . . . 10.0 111.028 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.96 -43.79 97.83 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.491 -0.755 . . . . 10.0 110.94 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.5 -51.24 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 125.341 1.457 . . . . 10.0 108.797 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.95 73.86 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.532 0.333 . . . . 10.0 110.727 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -54.95 -49.81 70.43 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.078 0.399 . . . . 10.0 110.825 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.76 -46.47 87.39 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.892 0.477 . . . . 10.0 111.013 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.21 -53.53 56.05 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.9 0.48 . . . . 10.0 110.516 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.42 -51.91 61.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.417 0.687 . . . . 10.0 110.72 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -44.23 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 119.356 -0.354 . . . . 10.0 110.554 -176.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -54.4 -46.15 73.05 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.946 0.794 . . . . 10.0 110.232 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.22 -55.21 22.86 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.759 -0.936 . . . . 10.0 110.759 173.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.25 -49.51 61.02 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.218 0.607 . . . . 10.0 110.842 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mmt -61.85 -46.98 87.09 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.339 -0.226 . . . . 10.0 111.296 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.54 -43.16 75.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.094 0.958 . . . . 10.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.72 -46.77 71.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.83 0.852 . . . . 10.0 111.689 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -69.04 -41.56 77.5 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 113.18 3.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -169.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -57.09 -30.93 64.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.029 1.332 . . . . 10.0 113.207 171.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 p -143.99 163.46 33.41 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.185 0.994 . . . . 10.0 110.028 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -56.83 -44.71 82.34 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.39 -55.54 18.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.92 0.888 . . . . 10.0 110.193 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -54.9 -51.32 66.38 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -51.67 -51.66 54.11 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.115 0.966 . . . . 10.0 111.767 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -60.25 -48.8 80.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.992 -0.442 . . . . 10.0 110.631 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -54.52 -62.34 1.72 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.271 -0.395 . . . . 10.0 111.925 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.86 -30.14 70.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.275 0.943 . . . . 10.0 112.988 -175.213 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.2 mt -64.62 -55.06 22.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.069 1.304 . . . . 10.0 110.749 171.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.71 78.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.104 -0.372 . . . . 10.0 110.165 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.74 -45.91 92.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.687 0.795 . . . . 10.0 110.886 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -53.23 -52.58 58.48 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.701 0.682 . . . . 10.0 109.895 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.0 mt -53.51 -54.83 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.882 0.373 . . . . 10.0 110.445 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.83 -53.6 18.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.881 1.672 . . . . 10.0 109.474 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -55.93 -54.08 49.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.602 -0.714 . . . . 10.0 111.102 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.97 -58.84 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 119.001 0.818 . . . . 10.0 109.736 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -52.17 -59.07 4.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.884 0.311 . . . . 10.0 111.142 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -49.52 73.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.84 1.256 . . . . 10.0 111.638 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -63.42 -52.43 61.59 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.66 0.743 . . . . 10.0 110.911 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.81 -44.57 69.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.85 0.86 . . . . 10.0 112.04 -169.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -35.35 66.8 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.702 0.801 . . . . 10.0 112.32 -175.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -51.68 -42.95 62.54 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.054 -0.403 . . . . 10.0 110.532 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -14.38 62.05 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.224 0.61 . . . . 10.0 111.468 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -83.02 -54.04 5.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.45 -0.945 . . . . 10.0 108.45 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -68.81 -37.9 79.54 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.827 1.047 . . . . 10.0 113.827 -171.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.5 m -73.71 41.6 0.12 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.397 1.628 . . . . 10.0 115.397 -169.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -82.71 68.21 9.09 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.084 -1.01 . . . . 10.0 108.827 173.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.251 1.135 0 CA-C-O 117.318 -1.325 . . . . 10.0 108.982 -177.334 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -92.42 -73.1 0.56 Allowed 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 123.83 0.852 . . . . 10.0 111.384 -172.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -52.09 -36.17 50.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.437 0.695 . . . . 10.0 111.366 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.86 -40.88 4.76 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.666 1.186 . . . . 10.0 111.894 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.1 mm -53.43 -53.16 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.145 0.978 . . . . 10.0 110.208 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -49.11 40.68 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 -169.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.91 -38.72 76.37 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.692 -0.194 . . . . 10.0 110.825 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.22 -51.8 67.46 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.357 0.663 . . . . 10.0 110.806 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.97 -55.0 35.62 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.508 0.67 . . . . 10.0 109.95 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.74 -42.28 78.99 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.826 0.85 . . . . 10.0 111.908 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.04 -52.01 37.68 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 123.966 0.906 . . . . 10.0 110.31 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.65 -54.83 16.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 62.3 mtt -51.58 -36.54 45.81 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 40.6 m -69.51 -13.32 62.28 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 14.5 m -51.32 -48.31 62.41 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.561 1.528 . . . . 10.0 111.685 -175.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -60.96 -42.95 99.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.024 -0.423 . . . . 10.0 111.529 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -56.37 -45.76 80.35 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -57.87 10.72 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 174.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.0 -37.31 76.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.011 0.745 . . . . 10.0 113.011 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -78.09 57.64 1.84 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.803 0.841 . . . . 10.0 111.827 -174.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.86 -41.18 2.25 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.798 1.19 . . . . 10.0 113.47 169.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -62.96 -39.48 94.8 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.373 0.587 . . . . 10.0 111.279 -169.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -70.45 79.73 0.56 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.049 0.54 . . . . 10.0 109.602 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.04 146.62 14.22 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.886 0.475 . . . . 10.0 109.951 169.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.161 -1.399 . . . . 10.0 110.253 -177.331 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.19 0 N-CA-C 111.304 -0.718 . . . . 10.0 111.304 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 m -64.31 102.45 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.726 0.41 . . . . 10.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.6 mmt-85 -67.43 -33.06 74.38 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.744 -0.597 . . . . 10.0 110.595 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -132.95 153.39 51.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.597 1.559 . . . . 10.0 107.279 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.67 30.93 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 118.915 0.779 . . . . 10.0 111.352 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -60.48 -20.94 61.7 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.864 0.865 . . . . 10.0 112.989 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -55.83 -32.79 63.9 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.776 0.83 . . . . 10.0 111.511 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -38.33 -37.69 0.31 Allowed 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.575 1.55 . . . . 10.0 112.788 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -106.63 5.61 29.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.993 1.109 . . . . 10.0 113.993 -171.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.96 111.68 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 119.318 0.963 . . . . 10.0 110.311 -174.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.6 p -78.74 163.5 25.34 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 122.239 1.019 . . . . 10.0 112.376 -174.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -60.75 -43.78 97.55 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.704 -1.135 . . . . 10.0 109.741 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.57 -48.52 69.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 10.0 110.398 174.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.84 -52.19 66.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 119.249 -0.405 . . . . 10.0 110.982 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -51.63 -47.96 63.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.077 0.853 . . . . 10.0 111.682 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -61.43 -45.3 94.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.159 0.984 . . . . 10.0 110.845 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -69.89 -33.15 71.83 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.514 -0.742 . . . . 10.0 110.333 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.64 -47.34 84.17 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.389 -1.444 . . . . 10.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.36 -47.51 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.17 -48.72 67.78 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.67 -0.644 . . . . 10.0 111.869 174.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -55.83 -45.5 78.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.899 -0.572 . . . . 10.0 111.048 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.32 -52.79 60.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.801 0.728 . . . . 10.0 109.757 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.2 t -52.57 -50.28 40.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 117.995 -1.002 . . . . 10.0 109.927 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -59.85 -47.87 83.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 10.0 111.154 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.09 -36.74 84.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.427 0.691 . . . . 10.0 111.415 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.16 -37.72 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.464 0.706 . . . . 10.0 110.769 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -156.51 91.22 2.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 126.34 1.856 . . . . 10.0 110.517 -168.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.42 114.8 1.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.815 2.343 . . . . 10.0 110.893 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -83.1 131.22 54.32 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 -171.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.71 -40.9 9.09 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.51 2.14 . . . . 10.0 112.126 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -155.78 140.23 11.81 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-O 117.595 -1.193 . . . . 10.0 108.285 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -42.61 -45.63 8.35 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.459 2.773 . . . . 10.0 113.802 172.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.4 -32.39 57.08 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 10.0 112.211 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.53 -24.86 61.62 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.128 0.571 . . . . 10.0 111.592 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.76 -20.9 24.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.421 0.555 . . . . 10.0 112.214 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -66.25 -19.48 65.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.13 149.56 47.46 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 0.801 . . . . 10.0 111.023 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.93 77.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.095 0.558 . . . . 10.0 111.849 -174.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -63.73 -46.6 84.65 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 79.2 mmm -53.49 -53.39 52.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 119.33 -0.367 . . . . 10.0 110.298 171.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.03 -40.91 64.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.561 0.744 . . . . 10.0 111.396 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -60.72 -47.55 85.76 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.837 -0.54 . . . . 10.0 110.891 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.74 -43.34 99.07 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.529 -0.732 . . . . 10.0 110.708 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.56 -49.94 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.5 1.12 . . . . 10.0 109.238 174.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.41 77.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.708 0.403 . . . . 10.0 110.927 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.38 -49.33 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.132 -0.355 . . . . 10.0 110.858 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.64 90.55 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.89 0.476 . . . . 10.0 111.022 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -56.12 -52.57 63.87 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.943 0.497 . . . . 10.0 110.244 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -53.22 -55.84 21.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.268 0.627 . . . . 10.0 110.377 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -45.63 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 119.324 -0.37 . . . . 10.0 110.612 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.09 -45.45 75.42 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.092 0.86 . . . . 10.0 110.743 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.78 -54.08 32.75 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -51.77 -49.52 62.48 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.381 0.672 . . . . 10.0 110.682 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 19.8 mmt -60.4 -43.82 96.3 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.188 -0.435 . . . . 10.0 110.97 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.13 -50.97 67.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.31 0.505 . . . . 10.0 110.153 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -64.25 -37.14 86.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.075 0.55 . . . . 10.0 111.68 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 m -68.2 -41.03 81.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.611 0.72 . . . . 10.0 111.851 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.29 103.27 1.56 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.433 1.093 . . . . 10.0 112.974 -169.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.42 -23.14 62.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.88 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -144.57 167.53 22.3 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.767 0.827 . . . . 10.0 110.093 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.02 -46.55 88.71 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.555 1.542 . . . . 10.0 110.26 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -48.25 -53.33 17.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.988 0.515 . . . . 10.0 110.875 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -57.15 -52.05 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.014 -0.517 . . . . 10.0 110.029 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -46.29 -51.13 15.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.273 0.629 . . . . 10.0 112.077 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -64.18 -49.77 70.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.97 -0.456 . . . . 10.0 111.206 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.72 -60.47 3.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -66.23 -30.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.985 0.811 . . . . 10.0 112.831 -174.207 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 mt -65.31 -51.99 57.0 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.553 1.069 . . . . 10.0 110.74 172.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.14 83.41 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.76 -0.588 . . . . 10.0 110.412 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.12 -49.15 76.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.765 0.826 . . . . 10.0 110.372 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -52.07 -53.01 47.5 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.325 0.65 . . . . 10.0 110.211 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.91 -52.65 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.193 0.521 . . . . 10.0 111.019 175.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.48 -51.57 64.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.225 1.01 . . . . 10.0 109.292 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -56.64 -50.44 72.05 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-O 118.434 -0.793 . . . . 10.0 111.432 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.12 -58.96 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 119.29 0.95 . . . . 10.0 109.461 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -53.46 -55.18 27.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.507 0.594 . . . . 10.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -55.35 -48.02 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -68.7 -45.27 72.05 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.763 0.825 . . . . 10.0 110.817 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.16 -39.71 63.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.69 1.196 . . . . 10.0 110.905 -170.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -72.64 70.54 0.94 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.289 0.636 . . . . 10.0 109.739 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -46.13 -35.09 4.7 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.324 1.45 . . . . 10.0 113.263 -174.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -45.46 -47.83 13.91 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.709 1.204 . . . . 10.0 110.918 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -50.78 -58.63 5.46 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.809 0.844 . . . . 10.0 109.836 176.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.1 mtm105 -61.29 -37.54 83.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.676 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.8 p -62.85 -47.17 84.55 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.078 0.399 . . . . 10.0 110.187 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 59.9 mmt-85 -80.25 60.1 3.6 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 176.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.967 1.707 . . . . 10.0 114.399 -169.865 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.463 -0.303 . . . . 10.0 111.646 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -11.11 -72.38 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 128.368 2.667 . . . . 10.0 115.894 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.01 -47.27 85.82 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.173 0.589 . . . . 10.0 110.845 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -59.9 -44.11 94.43 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.206 0.602 . . . . 10.0 110.023 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.27 -49.99 59.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -62.75 -46.77 86.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 119.477 -0.297 . . . . 10.0 110.792 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -55.84 -49.46 73.23 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.257 0.48 . . . . 10.0 111.205 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.23 -50.61 72.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.165 0.986 . . . . 10.0 110.141 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.94 -48.26 76.05 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.244 0.618 . . . . 10.0 109.896 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.27 -41.21 97.02 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.121 1.369 . . . . 10.0 112.092 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 tp -44.65 -48.54 10.54 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 125.319 1.448 . . . . 10.0 111.778 -173.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -39.57 84.92 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.05 -0.406 . . . . 10.0 110.63 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 28.7 mtt -73.99 -39.51 63.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.88 0.872 . . . . 10.0 110.632 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.2 p -51.11 -29.38 13.15 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.47 0.708 . . . . 10.0 112.714 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -37.84 -47.25 1.01 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.973 1.309 . . . . 10.0 111.841 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.82 -31.69 68.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.527 0.731 . . . . 10.0 111.986 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -80.49 -43.98 19.93 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.956 0.902 . . . . 10.0 109.659 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -54.63 -43.73 72.55 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.996 0.427 . . . . 10.0 110.523 174.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mp -93.77 20.74 7.22 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.337 1.855 . . . . 10.0 111.459 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 4.22 70.33 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 129.727 3.211 . . . . 10.0 115.314 -170.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.58 75.36 0.38 Allowed Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.912 1.72 . . . . 10.0 110.55 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -88.12 3.69 48.21 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.478 1.111 . . . . 10.0 112.399 -175.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.05 76.62 1.72 Allowed 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 119.502 1.046 . . . . 10.0 109.775 176.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.66 -64.51 0.47 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.326 1.45 . . . . 10.0 112.904 -175.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 C--O 1.252 1.22 0 CA-C-O 116.75 -1.595 . . . . 10.0 108.509 -174.846 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.229 0 N-CA-C 111.658 -0.577 . . . . 10.0 111.658 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 m -75.87 66.17 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.572 1.149 . . . . 10.0 110.928 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -60.97 -30.75 70.44 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 -170.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -110.27 144.94 38.23 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.875 0.87 . . . . 10.0 109.212 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.89 49.87 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.675 -0.57 . . . . 10.0 111.675 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.43 -9.63 58.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.751 0.82 . . . . 10.0 112.822 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -50.4 -46.36 56.2 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.837 0.744 . . . . 10.0 109.779 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.83 -30.54 14.6 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.841 0.856 . . . . 10.0 112.601 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -78.76 -42.73 27.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.447 0.699 . . . . 10.0 110.453 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.39 89.64 1.94 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 123.419 0.688 . . . . 10.0 109.919 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.7 p -59.44 166.0 2.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.874 1.27 . . . . 10.0 112.261 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -58.2 -48.17 81.16 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.718 -1.128 . . . . 10.0 110.493 174.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.96 -47.63 77.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.361 0.664 . . . . 10.0 111.694 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.33 -48.82 79.6 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.765 1.166 . . . . 10.0 110.812 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -60.92 -34.91 75.42 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 120.829 -1.169 . . . . 10.0 111.879 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 m -58.44 -47.76 82.93 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.849 0.75 . . . . 10.0 111.067 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -62.22 -39.61 93.36 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.752 -0.593 . . . . 10.0 110.595 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.45 -47.14 80.19 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.215 -0.928 . . . . 10.0 110.92 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 t -48.5 -51.7 10.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 118.906 0.776 . . . . 10.0 109.883 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -51.41 -53.19 39.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.865 -0.588 . . . . 10.0 110.796 174.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -51.95 -43.24 63.41 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.981 0.81 . . . . 10.0 111.756 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.96 -53.62 54.7 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 118.971 0.805 . . . . 10.0 109.882 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -52.89 -52.61 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 118.823 -0.608 . . . . 10.0 109.754 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -54.51 -49.7 69.6 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.77 0.713 . . . . 10.0 111.613 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.43 87.48 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.392 0.677 . . . . 10.0 111.678 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.11 -43.48 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.342 0.657 . . . . 10.0 110.248 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -166.24 100.0 0.71 Allowed Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.195 1.398 . . . . 10.0 109.234 -169.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.72 127.24 20.44 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.69 2.927 . . . . 10.0 112.553 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -67.79 121.85 81.21 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 117.619 -1.181 . . . . 10.0 110.02 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.02 -42.87 50.94 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.981 2.454 . . . . 10.0 113.045 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -161.76 144.66 9.11 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -43.83 -45.18 11.41 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.112 2.541 . . . . 10.0 113.532 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.38 -34.54 58.06 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.708 -0.62 . . . . 10.0 112.072 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.02 -29.87 58.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.304 0.641 . . . . 10.0 111.425 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt -52.76 -24.81 9.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.413 0.685 . . . . 10.0 112.246 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.25 -17.79 63.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.116 0.784 . . . . 10.0 113.116 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -94.79 139.35 31.4 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.134 0.879 . . . . 10.0 111.72 -172.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -30.04 -53.74 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.323 2.249 . . . . 10.0 112.928 172.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 tpt85 -53.85 -41.39 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.698 1.199 . . . . 10.0 111.582 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -46.95 14.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.658 0.383 . . . . 10.0 110.719 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -48.29 -38.5 18.99 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.435 0.694 . . . . 10.0 111.929 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -56.18 -48.02 77.17 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 173.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 mp -69.71 -41.8 74.86 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.752 -0.592 . . . . 10.0 109.637 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.19 -51.53 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.53 57.23 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.143 0.977 . . . . 10.0 111.085 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.07 -49.21 66.85 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.68 0.392 . . . . 10.0 110.733 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.6 -47.25 86.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.244 0.617 . . . . 10.0 110.692 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -55.04 -52.99 61.45 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.184 0.447 . . . . 10.0 110.66 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -53.12 -55.79 21.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.417 0.687 . . . . 10.0 110.974 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.76 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 122.703 0.401 . . . . 10.0 110.619 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -56.61 -46.79 80.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 121.679 -0.638 . . . . 10.0 109.929 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -58.34 8.02 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -48.9 -51.28 30.84 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.108 0.563 . . . . 10.0 111.071 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.4 mmt -61.19 -43.84 98.24 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 119.229 -0.415 . . . . 10.0 111.773 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -57.99 -45.59 86.58 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.509 0.595 . . . . 10.0 110.246 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.7 -38.58 80.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.789 0.436 . . . . 10.0 111.308 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 m -72.73 -46.2 54.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.551 0.691 . . . . 10.0 112.342 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 115.84 5.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.739 1.215 . . . . 10.0 111.461 -169.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.81 20.37 3.55 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.625 -0.672 . . . . 10.0 110.875 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -167.69 150.48 5.9 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.084 1.354 . . . . 10.0 108.118 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -56.02 -41.57 75.15 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.607 0.763 . . . . 10.0 110.058 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.17 -49.49 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -57.07 -54.82 42.47 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -47.31 -51.98 17.71 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.334 1.054 . . . . 10.0 112.141 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -59.31 -53.57 56.75 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.595 -0.69 . . . . 10.0 110.823 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -52.26 -63.29 1.19 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.966 0.506 . . . . 10.0 112.287 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.302 0.3 OUTLIER -66.95 -25.31 66.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.546 -0.74 . . . . 10.0 112.14 -173.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 mt -65.78 -53.24 42.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 120.027 1.285 . . . . 10.0 110.54 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.12 -45.39 75.54 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.079 -0.388 . . . . 10.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.98 -42.4 98.3 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.836 0.454 . . . . 10.0 110.944 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.94 -52.35 66.14 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.497 -0.752 . . . . 10.0 110.3 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 95.9 mt -50.63 -54.91 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.103 0.478 . . . . 10.0 109.784 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -50.96 -52.86 38.32 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.053 0.941 . . . . 10.0 110.004 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -57.36 -51.07 70.9 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 118.2 -0.905 . . . . 10.0 111.073 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.6 -57.96 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 120.301 1.41 . . . . 10.0 109.199 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -51.69 -58.62 5.86 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.31 0.504 . . . . 10.0 111.21 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -57.11 -55.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.06 0.944 . . . . 10.0 112.465 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -59.6 -50.39 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.126 0.97 . . . . 10.0 110.574 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.62 -38.95 90.86 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.28 0.632 . . . . 10.0 110.302 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.58 -60.81 2.7 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.623 0.769 . . . . 10.0 110.492 172.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -80.88 62.15 4.78 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.177 0.991 . . . . 10.0 111.493 -169.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -51.68 -35.36 42.33 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.235 1.014 . . . . 10.0 110.44 171.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -38.28 -47.48 1.2 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.722 1.609 . . . . 10.0 111.528 169.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.0 mtm105 -86.19 -59.36 2.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.268 0.627 . . . . 10.0 109.861 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.3 m -57.05 -26.23 59.99 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 -169.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -104.74 6.5 34.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.766 0.826 . . . . 10.0 111.752 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.182 -1.39 . . . . 10.0 110.822 -176.42 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -50.83 3.42 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.796 1.238 . . . . 10.0 113.487 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.55 -41.34 98.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.528 0.331 . . . . 10.0 110.668 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.31 89.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.9 -53.18 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.289 0.636 . . . . 10.0 109.815 175.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -64.71 -51.05 64.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.067 -0.492 . . . . 10.0 111.336 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -52.46 -51.34 59.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.575 0.625 . . . . 10.0 110.332 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.05 -52.25 64.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.274 1.029 . . . . 10.0 110.846 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.49 -49.55 76.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.633 0.73 . . . . 10.0 109.978 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.25 -37.16 84.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.259 1.423 . . . . 10.0 111.445 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 tp -49.24 -53.31 22.17 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.135 0.974 . . . . 10.0 110.626 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.13 -52.42 55.36 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.5 mmt -47.65 -40.91 21.04 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.972 0.509 . . . . 10.0 112.098 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 61.5 m -61.58 -25.97 67.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.437 1.273 . . . . 10.0 114.437 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -42.66 -52.57 4.82 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.924 1.238 . . . . 10.0 113.545 -169.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -56.65 -35.89 68.88 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -80.23 -39.15 29.61 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.373 0.669 . . . . 10.0 110.009 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.02 -42.41 69.08 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.97 0.508 . . . . 10.0 109.732 169.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mp -51.28 -40.32 58.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.917 0.887 . . . . 10.0 112.011 170.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -84.31 21.11 1.48 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.457 0.703 . . . . 10.0 111.474 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.27 22.87 74.8 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.532 1.063 . . . . 10.0 113.016 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.2 71.81 1.47 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.387 1.094 . . . . 10.0 110.935 -169.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -76.53 44.95 0.37 Allowed 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.365 -0.834 . . . . 10.0 110.808 173.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -89.02 -39.67 13.52 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.634 0.773 . . . . 10.0 110.262 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.099 -1.429 . . . . 10.0 109.754 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.301 0 N-CA-C 111.618 -0.593 . . . . 10.0 111.618 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.34 70.99 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.319 0.647 . . . . 10.0 109.517 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.27 115.61 17.19 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.402 0.681 . . . . 10.0 110.171 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.78 11.23 6.12 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.857 1.263 . . . . 10.0 110.392 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.74 -67.95 1.61 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 109.203 -1.559 . . . . 10.0 109.203 -169.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -71.38 -18.19 62.37 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.003 0.921 . . . . 10.0 112.411 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -45.56 -44.82 13.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.223 1.009 . . . . 10.0 110.472 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -38.71 -42.54 0.81 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 127.952 2.501 . . . . 10.0 112.842 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -89.09 -2.97 58.78 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.005 1.322 . . . . 10.0 111.933 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.56 89.9 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 123.965 0.906 . . . . 10.0 108.923 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 p -86.11 173.73 9.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.636 1.574 . . . . 10.0 111.038 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.71 -40.62 13.68 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.859 1.264 . . . . 10.0 111.7 176.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.11 -57.55 12.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.457 0.703 . . . . 10.0 109.58 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.45 -40.93 96.65 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.332 -0.366 . . . . 10.0 110.18 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -54.18 -50.1 67.81 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.18 0.9 . . . . 10.0 110.927 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 t -57.73 -51.88 67.74 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.241 0.616 . . . . 10.0 110.416 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -53.51 -44.51 69.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.717 0.807 . . . . 10.0 110.332 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.3 -47.52 76.31 Favored 'General case' 0 C--O 1.225 -0.221 0 O-C-N 121.61 -0.681 . . . . 10.0 111.368 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.7 t -53.24 -48.7 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 119.473 1.033 . . . . 10.0 110.268 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -52.28 -51.76 56.67 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.799 -0.563 . . . . 10.0 109.949 173.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.29 -36.33 73.16 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD11 ' A' ' 72' ' ' ILE . 90.0 mt -57.07 -54.14 50.12 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 120.111 1.323 . . . . 10.0 108.655 171.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.57 -51.38 43.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 118.074 -0.965 . . . . 10.0 109.741 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.47 -48.83 80.15 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 119.641 1.109 . . . . 10.0 112.271 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.77 84.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.617 -0.677 . . . . 10.0 111.238 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.39 -46.62 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 O-C-N 121.774 -0.579 . . . . 10.0 109.614 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -144.15 92.36 6.23 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 126.903 2.081 . . . . 10.0 110.346 -168.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -65.41 114.15 2.76 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.611 1.541 . . . . 10.0 109.226 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -79.55 120.0 78.8 Favored Pre-proline 0 N--CA 1.455 -0.22 0 CA-C-O 117.8 -1.095 . . . . 10.0 110.637 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.66 -40.23 55.88 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 123.167 2.578 . . . . 10.0 113.205 173.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.65 130.91 9.2 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.872 -1.061 . . . . 10.0 108.144 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.06 -42.15 12.7 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.765 2.977 . . . . 10.0 113.273 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.75 47.67 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.491 -0.756 . . . . 10.0 111.962 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -23.38 32.22 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 10.0 112.238 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.68 -25.15 3.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.497 0.719 . . . . 10.0 112.611 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -24.55 67.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.195 0.813 . . . . 10.0 113.195 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.37 137.02 57.22 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.441 -0.787 . . . . 10.0 110.848 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -40.62 -49.22 2.99 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.179 1.391 . . . . 10.0 113.321 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.64 -44.62 96.16 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.041 -0.412 . . . . 10.0 110.223 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.8 mmm -65.33 -45.41 84.38 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.029 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -53.85 -44.59 70.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.297 0.953 . . . . 10.0 110.529 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -58.35 -48.12 81.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 122.117 -0.364 . . . . 10.0 110.677 175.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.47 -40.01 94.89 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.515 0.326 . . . . 10.0 110.822 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.81 -51.28 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.575 1.55 . . . . 10.0 108.68 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.32 72.76 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.579 0.352 . . . . 10.0 110.684 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -53.78 -51.84 62.13 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 122.42 0.288 . . . . 10.0 110.497 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.89 88.1 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.87 0.868 . . . . 10.0 111.106 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.29 -53.72 54.93 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.228 0.467 . . . . 10.0 110.186 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -51.55 -55.56 18.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.536 0.734 . . . . 10.0 110.252 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -47.71 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.649 0.78 . . . . 10.0 110.757 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -55.01 -48.51 73.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.463 1.028 . . . . 10.0 110.521 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.76 42.21 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.205 -0.758 . . . . 10.0 111.205 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.61 -48.55 66.24 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.552 0.741 . . . . 10.0 110.822 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 mmt -62.97 -43.25 99.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.059 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.74 -43.7 76.85 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.332 0.515 . . . . 10.0 110.415 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.54 -44.54 82.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.135 0.574 . . . . 10.0 111.74 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 m -70.49 -42.43 71.38 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 117.15 11.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.134 0.974 . . . . 10.0 112.038 -169.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.56 1.05 31.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.846 -0.534 . . . . 10.0 111.633 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.9 p -153.51 157.36 39.68 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 120.97 -1.081 . . . . 10.0 109.897 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -62.78 -44.11 97.03 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.37 0.668 . . . . 10.0 110.53 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.19 81.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 118.998 -0.525 . . . . 10.0 111.06 173.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.06 -50.54 73.68 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.988 0.813 . . . . 10.0 109.341 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -49.78 -51.96 35.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.982 0.913 . . . . 10.0 111.696 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.59 -52.82 63.39 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.636 -0.665 . . . . 10.0 110.931 173.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -55.56 -62.7 1.51 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.8 0.44 . . . . 10.0 112.101 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.3 OUTLIER -64.1 -26.53 68.58 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.791 0.723 . . . . 10.0 112.364 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.25 -57.08 10.47 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.799 1.181 . . . . 10.0 110.29 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.92 69.06 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.149 -0.344 . . . . 10.0 110.763 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.13 -49.48 71.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.21 0.604 . . . . 10.0 110.419 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -55.28 -51.1 67.78 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 118.955 0.798 . . . . 10.0 110.547 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.459 HD11 HD23 ' A' ' 22' ' ' LEU . 90.1 mt -51.4 -55.06 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.643 0.656 . . . . 10.0 109.941 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -52.85 41.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.853 1.261 . . . . 10.0 109.109 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -56.91 -52.4 65.34 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 117.757 -1.116 . . . . 10.0 111.275 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.9 -56.14 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 120.708 1.594 . . . . 10.0 109.396 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -51.23 -57.32 9.12 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.951 0.157 . . . . 10.0 110.748 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -59.0 -53.25 60.52 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.932 0.715 . . . . 10.0 112.932 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -60.54 -52.0 67.06 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.41 1.484 . . . . 10.0 110.327 -177.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 mp -80.01 -30.29 39.56 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.815 -0.612 . . . . 10.0 112.255 -173.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 0.67 -72.84 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 129.569 3.147 . . . . 10.0 116.263 -171.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -56.45 -41.4 76.43 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.91 -1.119 . . . . 10.0 112.017 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.5 -40.92 96.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 172.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.2 mmm-85 -61.1 -44.02 97.99 Favored 'General case' 0 C--O 1.227 -0.091 0 O-C-N 121.938 -0.476 . . . . 10.0 110.663 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -58.4 -51.28 70.48 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 174.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -73.66 72.13 1.44 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.484 0.714 . . . . 10.0 111.364 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 mmt-85 -65.32 55.63 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.106 1.762 . . . . 10.0 114.443 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 C--O 1.252 1.207 0 C-N-CA 125.2 1.4 . . . . 10.0 109.687 178.662 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 111.275 0.102 . . . . 10.0 111.275 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -30.01 -66.52 0.1 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.662 1.985 . . . . 10.0 113.371 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -67.93 -34.65 77.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.496 -0.775 . . . . 10.0 111.025 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.3 69.61 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 175.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.36 -54.32 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.366 0.667 . . . . 10.0 110.027 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -65.95 -46.51 77.9 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.319 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -56.72 -49.48 75.07 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.244 0.475 . . . . 10.0 110.034 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 tp -54.11 -52.9 59.55 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.295 0.638 . . . . 10.0 110.84 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.19 -54.7 43.91 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.527 0.679 . . . . 10.0 109.939 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.64 -42.07 78.27 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 125.423 1.489 . . . . 10.0 111.99 -174.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.41 -46.14 62.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.197 0.599 . . . . 10.0 111.155 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.54 -55.0 15.2 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 96.4 mmm -48.53 -39.68 24.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.418 0.687 . . . . 10.0 112.185 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.0 m -60.83 -15.98 36.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 49.2 m -52.87 -57.17 11.13 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.61 1.096 . . . . 10.0 111.878 -170.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.08 -46.54 65.23 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 119.13 0.877 . . . . 10.0 112.37 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -55.7 -46.43 77.67 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -65.39 -35.1 79.92 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.141 0.577 . . . . 10.0 111.719 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.51 -24.33 66.38 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.645 1.978 . . . . 10.0 111.687 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.43 64.57 0.85 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.928 0.871 . . . . 10.0 109.3 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.18 -68.08 2.68 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 125.378 1.466 . . . . 10.0 110.729 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -11.58 -66.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 128.85 2.86 . . . . 10.0 114.474 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -149.22 63.29 1.03 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 107.207 -1.405 . . . . 10.0 107.207 170.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.3 62.2 0.68 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.181 0.992 . . . . 10.0 112.914 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.25 -1.357 . . . . 10.0 108.457 176.829 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.157 0 N-CA-C 111.469 -0.653 . . . . 10.0 111.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.13 59.47 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 122.144 -0.621 . . . . 10.0 110.867 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -43.91 -54.23 5.49 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.172 1.389 . . . . 10.0 114.215 -169.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.24 14.53 21.95 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.732 0.413 . . . . 10.0 111.745 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.48 -64.16 2.55 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 121.172 -0.955 . . . . 10.0 111.437 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -50.73 -31.49 16.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.591 1.156 . . . . 10.0 112.035 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -36.34 -43.43 0.37 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.482 1.913 . . . . 10.0 112.342 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -44.11 -40.42 4.91 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.967 1.707 . . . . 10.0 112.315 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -99.28 21.36 12.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.106 1.363 . . . . 10.0 111.617 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -143.13 92.98 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 124.804 1.242 . . . . 10.0 107.841 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -78.34 164.15 25.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.937 1.295 . . . . 10.0 111.777 -173.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.11 39.51 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.271 1.028 . . . . 10.0 110.262 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.31 -48.2 79.54 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.686 0.794 . . . . 10.0 111.157 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.1 tp -66.32 -44.2 84.05 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -51.66 -50.26 60.73 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.837 -0.539 . . . . 10.0 109.947 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -57.12 -47.56 80.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.002 1.321 . . . . 10.0 111.133 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.7 -45.76 91.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.114 0.565 . . . . 10.0 110.276 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.46 -45.95 88.45 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.209 0.603 . . . . 10.0 110.551 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.89 -49.65 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.608 -0.682 . . . . 10.0 109.819 171.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.33 -49.79 71.3 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.047 -0.353 . . . . 10.0 110.047 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -52.75 -43.93 66.1 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 118.651 -0.69 . . . . 10.0 112.021 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 72' ' ' ILE . 49.1 mt -55.27 -53.25 58.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 119.272 0.942 . . . . 10.0 109.897 175.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.1 t -54.41 -54.27 23.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.202 -0.904 . . . . 10.0 109.671 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -54.15 -48.18 71.15 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.606 1.094 . . . . 10.0 111.885 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.17 90.89 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.477 0.711 . . . . 10.0 110.782 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.85 -52.03 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.231 0.539 . . . . 10.0 109.893 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -146.38 98.4 4.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.727 2.411 . . . . 10.0 108.714 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -55.36 124.39 16.17 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.949 2.433 . . . . 10.0 111.157 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.1 p -85.59 122.88 73.24 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 117.79 -1.1 . . . . 10.0 109.942 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.79 -40.44 39.16 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.593 2.862 . . . . 10.0 114.697 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -157.62 142.56 12.09 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 117.628 -1.177 . . . . 10.0 108.764 -173.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.18 -45.54 9.61 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.467 2.778 . . . . 10.0 113.851 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.97 60.69 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.538 -0.726 . . . . 10.0 111.897 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.09 50.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.031 0.533 . . . . 10.0 111.621 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.0 mt -53.98 -25.21 19.72 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.678 0.672 . . . . 10.0 112.299 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -72.34 -19.24 61.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.97 132.9 55.38 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.996 0.816 . . . . 10.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -48.47 -54.01 15.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -56.03 -45.75 79.04 Favored 'General case' 0 CA--C 1.529 0.154 0 O-C-N 121.693 -0.63 . . . . 10.0 109.739 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 29.0 tpp -61.25 -43.64 98.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.898 -0.501 . . . . 10.0 111.474 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -56.03 -38.0 69.96 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.276 0.63 . . . . 10.0 110.604 173.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.28 -44.09 89.13 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.957 -0.464 . . . . 10.0 111.067 174.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.79 -48.11 82.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.994 0.815 . . . . 10.0 110.022 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -52.96 -50.61 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.914 0.886 . . . . 10.0 109.694 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.56 68.63 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.933 -0.479 . . . . 10.0 111.093 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -53.48 -49.95 66.39 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.741 0.417 . . . . 10.0 110.637 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -46.34 88.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.767 0.427 . . . . 10.0 110.847 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -56.12 -52.96 62.44 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -52.42 -56.11 17.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.372 0.669 . . . . 10.0 110.619 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -44.35 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 122.279 -0.263 . . . . 10.0 110.504 -174.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -57.65 -46.78 83.77 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.601 -0.687 . . . . 10.0 110.628 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.87 -50.89 52.72 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.09 -50.23 64.82 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.354 -0.498 . . . . 10.0 110.869 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -43.11 95.7 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 119.374 -0.346 . . . . 10.0 111.228 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.95 -44.95 67.47 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.908 0.883 . . . . 10.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.72 -32.82 41.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.0 m -70.57 -47.87 58.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.893 0.77 . . . . 10.0 111.723 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.97 125.66 25.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.202 1.001 . . . . 10.0 111.253 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.39 19.79 11.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.838 -0.539 . . . . 10.0 111.222 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -168.55 147.23 4.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 126.131 1.773 . . . . 10.0 107.954 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -53.3 -44.71 68.56 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.468 0.707 . . . . 10.0 110.348 173.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -49.85 -52.24 34.05 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.262 0.625 . . . . 10.0 111.284 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.17 -52.58 64.98 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -48.28 -50.38 30.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.651 0.78 . . . . 10.0 112.041 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.02 -55.84 29.93 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.604 -0.685 . . . . 10.0 110.936 172.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -53.94 -59.15 5.01 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -174.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.307 0.3 OUTLIER -67.09 -26.11 66.55 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.491 -0.766 . . . . 10.0 112.424 -177.146 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.63 -51.78 56.95 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 120.066 1.303 . . . . 10.0 109.705 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.49 -48.39 68.98 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.154 -0.341 . . . . 10.0 110.181 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -57.4 -46.94 82.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.094 -0.379 . . . . 10.0 110.953 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -55.47 -52.68 62.83 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.82 -0.55 . . . . 10.0 110.249 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.404 HD11 HD23 ' A' ' 22' ' ' LEU . 96.7 mt -50.67 -53.12 14.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-O 120.817 0.342 . . . . 10.0 110.113 174.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -55.63 19.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 10.0 109.382 -177.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -58.42 -50.05 75.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.485 -0.769 . . . . 10.0 111.591 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.7 mt -47.65 -60.55 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.412 HE22 ' CZ ' ' A' ' 83' ' ' ARG . 34.7 mm-40 -51.07 -53.77 30.88 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.794 0.724 . . . . 10.0 111.813 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -57.39 -53.77 54.35 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.81 -43.34 98.32 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.831 0.853 . . . . 10.0 110.922 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.2 tp -77.82 -33.81 52.24 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.819 1.247 . . . . 10.0 112.267 -169.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -38.36 -48.61 1.36 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.556 1.543 . . . . 10.0 112.982 -172.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -48.13 -36.92 14.27 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -114.21 -26.07 8.2 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.186 0.994 . . . . 10.0 112.87 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CZ ' HE22 ' A' ' 76' ' ' GLN . 72.0 ttt180 -12.55 -65.59 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 128.79 2.836 . . . . 10.0 115.752 -169.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.7 mtm-85 -46.29 -33.3 3.65 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.277 1.431 . . . . 10.0 113.218 -176.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.8 p -52.35 -32.46 38.4 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.344 1.058 . . . . 10.0 113.02 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -74.53 67.33 1.49 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.899 0.88 . . . . 10.0 109.878 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.433 1.493 . . . . 10.0 108.15 177.269 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.534 0.207 . . . . 10.0 111.087 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -50.88 -48.98 60.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.305 1.042 . . . . 10.0 112.009 -172.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.44 -39.18 86.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.176 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -51.25 64.75 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.76 -54.48 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.441 0.696 . . . . 10.0 110.007 175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.12 -47.69 73.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.195 -0.431 . . . . 10.0 111.26 -173.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -56.36 -48.32 77.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.39 0.541 . . . . 10.0 110.223 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.16 -50.76 70.26 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.176 0.99 . . . . 10.0 110.853 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.33 -53.54 56.45 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.502 0.668 . . . . 10.0 110.209 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.35 -43.59 79.26 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.616 1.566 . . . . 10.0 110.948 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.3 tp -45.87 -53.06 10.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.923 0.889 . . . . 10.0 110.703 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.48 -52.09 43.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.3 mmt -45.81 -43.15 13.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.069 0.548 . . . . 10.0 111.769 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 56.5 p -69.4 -10.64 58.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 28.2 m -50.83 -46.65 60.07 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.732 1.151 . . . . 10.0 111.962 -173.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.43 -45.46 80.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.751 0.705 . . . . 10.0 112.316 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.55 -41.28 98.8 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.691 0.796 . . . . 10.0 110.776 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.12 -47.38 84.86 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.414 0.686 . . . . 10.0 110.509 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.22 -53.94 52.42 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.53 1.532 . . . . 10.0 110.061 -175.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -78.18 46.5 0.61 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.452 0.908 . . . . 10.0 113.452 -174.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.7 -51.08 2.25 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.737 1.161 . . . . 10.0 115.371 169.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -31.86 -48.75 0.16 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.374 2.269 . . . . 10.0 115.976 -169.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -65.35 -24.81 67.34 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.225 0.824 . . . . 10.0 113.225 -175.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.59 64.37 1.66 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.556 0.743 . . . . 10.0 111.122 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.355 -1.307 . . . . 10.0 108.663 178.003 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.013 0 N-CA-C 110.106 -1.198 . . . . 10.0 110.106 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -85.3 -61.34 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 117.694 0.747 . . . . 10.0 110.449 -174.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -74.82 -48.42 25.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.994 0.902 . . . . 10.0 110.361 -170.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -137.77 156.62 47.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.607 1.963 . . . . 10.0 107.64 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.93 -39.6 40.66 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.434 0.561 . . . . 10.0 111.949 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -79.96 -9.96 59.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.773 0.829 . . . . 10.0 113.21 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -49.35 -42.66 42.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.808 0.843 . . . . 10.0 111.975 -173.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.54 -35.79 4.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.223 1.409 . . . . 10.0 113.335 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -70.47 -61.93 1.58 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 122.024 0.916 . . . . 10.0 110.137 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 64' ' ' TYR . 23.2 t -86.24 85.91 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.278 -169.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -71.32 162.33 29.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.747 -1.115 . . . . 10.0 111.767 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -48.26 -42.06 29.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.038 1.335 . . . . 10.0 112.782 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.98 -44.94 96.63 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.97 -0.457 . . . . 10.0 111.086 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.74 -45.68 81.69 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -50.67 -47.14 58.87 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.385 0.539 . . . . 10.0 110.471 173.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -57.98 -50.06 74.69 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.102 0.961 . . . . 10.0 110.923 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.32 -38.08 89.74 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.748 -0.595 . . . . 10.0 110.961 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.37 -48.2 76.39 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.769 -1.207 . . . . 10.0 110.722 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.5 t -51.28 -48.63 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.463 -0.773 . . . . 10.0 109.86 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -53.31 -46.97 69.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.803 -0.617 . . . . 10.0 111.231 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.26 -46.38 83.1 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 118.495 0.589 . . . . 10.0 111.325 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.0 mt -53.44 -52.34 59.76 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.795 0.725 . . . . 10.0 109.699 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.4 t -52.4 -51.65 31.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.25 -0.881 . . . . 10.0 109.354 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -58.33 -48.17 81.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.565 1.075 . . . . 10.0 111.482 -177.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.14 76.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.852 0.861 . . . . 10.0 111.324 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.6 mt -81.36 -41.49 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.337 0.655 . . . . 10.0 111.268 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -155.73 100.18 2.21 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 126.487 1.915 . . . . 10.0 109.543 -168.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -59.87 116.31 3.22 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.739 1.626 . . . . 10.0 109.829 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 m -74.15 126.59 89.02 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-O 118.975 -0.536 . . . . 10.0 110.483 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -51.35 -52.72 8.45 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 124.149 3.232 . . . . 10.0 114.185 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -161.8 146.11 9.8 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 107.545 -1.28 . . . . 10.0 107.545 -171.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -43.47 -46.97 9.58 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.257 2.638 . . . . 10.0 113.617 174.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.8 -35.09 63.5 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.689 -0.632 . . . . 10.0 111.851 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.11 61.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.009 0.524 . . . . 10.0 111.692 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.62 -25.65 27.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.379 0.536 . . . . 10.0 111.81 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -69.56 -21.57 63.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.32 127.27 32.04 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.138 -0.976 . . . . 10.0 109.777 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -43.84 -46.16 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.89 -38.04 75.09 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.152 -0.342 . . . . 10.0 110.511 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.1 tpp -76.83 -47.24 22.03 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 118.948 -0.549 . . . . 10.0 109.658 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -48.69 -45.04 38.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.283 0.947 . . . . 10.0 111.649 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -57.44 -44.23 84.56 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 122.25 -0.281 . . . . 10.0 111.083 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.41 -41.55 80.24 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.897 -0.502 . . . . 10.0 110.664 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.55 -50.36 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.4 -50.99 70.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.019 0.528 . . . . 10.0 110.864 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -51.84 -50.88 60.02 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.013 0.369 . . . . 10.0 111.061 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.36 90.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.059 -0.401 . . . . 10.0 110.544 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -55.21 -52.22 64.07 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.067 0.547 . . . . 10.0 110.395 174.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -54.04 -54.78 34.48 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.257 0.623 . . . . 10.0 110.935 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -44.64 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.128 -0.358 . . . . 10.0 110.321 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.87 -45.47 82.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.405 -0.809 . . . . 10.0 111.294 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.93 -53.0 39.22 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.716 -0.953 . . . . 10.0 110.716 173.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -50.97 -50.46 58.08 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.027 0.531 . . . . 10.0 110.507 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.1 mmt -57.41 -46.86 83.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 119.598 -0.239 . . . . 10.0 111.447 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.53 -48.63 71.73 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.811 0.445 . . . . 10.0 110.585 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.06 -27.21 61.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -73.81 -42.34 61.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.746 0.703 . . . . 10.0 112.252 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.51 115.91 10.23 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -65.17 -21.48 66.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.967 0.907 . . . . 10.0 112.76 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -154.59 150.06 27.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.327 -0.858 . . . . 10.0 109.394 -173.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -47.19 -46.2 23.68 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.634 1.174 . . . . 10.0 111.28 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.31 -47.6 65.87 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.478 0.711 . . . . 10.0 110.832 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -64.33 -48.37 75.85 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.418 ' CE2' HG11 ' A' ' 10' ' ' VAL . 71.7 t80 -50.26 -48.69 54.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.635 . . . . 10.0 111.596 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.35 -52.68 64.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.78 -0.575 . . . . 10.0 110.823 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -51.75 -63.67 1.06 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.724 0.41 . . . . 10.0 111.945 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.341 0.4 OUTLIER -64.06 -28.64 69.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.457 -0.777 . . . . 10.0 112.972 -175.263 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 mt -65.99 -53.99 31.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.983 1.265 . . . . 10.0 110.913 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.43 74.0 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.24 -45.43 91.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 10.0 110.957 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -55.75 -51.17 68.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.93 0.786 . . . . 10.0 110.127 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.1 mt -52.49 -53.19 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.843 0.354 . . . . 10.0 110.491 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -53.28 41.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.828 1.251 . . . . 10.0 109.501 -177.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -56.79 -52.56 64.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.33 0.652 . . . . 10.0 111.395 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.4 mt -49.85 -53.21 11.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 118.448 0.567 . . . . 10.0 109.855 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -59.79 -49.51 77.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.22 0.464 . . . . 10.0 111.52 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.88 -47.88 76.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.706 0.685 . . . . 10.0 111.926 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -72.41 -55.77 6.52 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.342 0.657 . . . . 10.0 110.707 -177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.4 tp -80.49 -20.25 44.1 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.575 1.55 . . . . 10.0 113.546 -169.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 49.53 35.57 8.64 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.54 1.536 . . . . 10.0 114.252 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.16 67.47 3.99 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.471 -0.768 . . . . 10.0 110.18 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -76.2 84.18 3.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.755 1.222 . . . . 10.0 110.012 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -110.39 -141.59 0.38 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 171.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -52.41 -29.67 25.47 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.487 -0.758 . . . . 10.0 110.46 169.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 p -45.96 -20.92 0.1 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.78 2.432 . . . . 10.0 114.53 170.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -42.94 53.39 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.539 1.063 . . . . 10.0 109.906 169.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 117.032 -1.461 . . . . 10.0 109.084 172.829 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.447 -0.205 . . . . 10.0 110.447 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.06 -44.3 67.35 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 123.373 0.669 . . . . 10.0 111.376 -173.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -54.19 -47.61 71.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.478 0.711 . . . . 10.0 111.158 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -60.67 -59.07 5.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.29 -53.56 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 122.908 0.483 . . . . 10.0 110.151 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -70.58 -46.35 63.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.504 -0.76 . . . . 10.0 111.34 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.64 -46.79 88.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.334 0.97 . . . . 10.0 109.952 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.66 -54.3 39.74 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.793 0.837 . . . . 10.0 110.773 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.85 -52.95 63.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.243 0.544 . . . . 10.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.69 -42.38 88.41 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.509 1.124 . . . . 10.0 111.069 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.88 -53.15 53.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.298 0.639 . . . . 10.0 110.582 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.73 -50.43 72.46 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.7 mtt -51.13 -40.97 59.71 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.987 -0.445 . . . . 10.0 111.487 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -70.24 -9.66 56.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.519 1.128 . . . . 10.0 113.834 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 31.9 m -52.58 -43.77 65.49 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 120.097 1.317 . . . . 10.0 111.24 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.05 -45.61 79.2 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.198 -0.314 . . . . 10.0 111.349 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.04 -49.22 76.87 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -56.16 -46.2 79.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.619 0.368 . . . . 10.0 110.974 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.07 -50.73 72.55 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.666 1.186 . . . . 10.0 110.015 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -62.05 -28.24 69.46 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.506 0.723 . . . . 10.0 111.785 177.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -43.86 -29.99 1.54 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.833 1.682 . . . . 10.0 114.312 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.43 61.47 0.34 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.801 1.24 . . . . 10.0 110.627 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -74.85 71.87 2.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.677 1.191 . . . . 10.0 109.589 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.19 63.13 0.7 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.926 0.891 . . . . 10.0 111.283 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.329 -1.319 . . . . 10.0 110.372 177.801 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.297 0 N-CA-C 112.213 -0.355 . . . . 10.0 112.213 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.9 t 52.58 -71.86 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 126.863 2.065 . . . . 10.0 112.5 -169.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -153.45 -69.43 0.15 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.292 1.037 . . . . 10.0 109.848 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -83.37 11.09 7.28 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.55 -70.98 2.37 Favored Glycine 0 CA--C 1.525 0.68 0 O-C-N 120.142 -1.599 . . . . 10.0 110.045 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -53.97 -30.25 46.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.612 1.165 . . . . 10.0 111.454 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -42.83 -37.02 1.66 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.175 1.39 . . . . 10.0 112.649 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.17 -34.14 68.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.195 0.598 . . . . 10.0 112.095 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -74.95 -50.45 16.69 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.836 -0.801 . . . . 10.0 108.836 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -84.02 85.83 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.827 0.822 . . . . 10.0 110.289 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.0 p -76.15 162.12 28.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.628 1.571 . . . . 10.0 111.542 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -50.4 -38.58 43.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.147 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.41 -47.3 86.67 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.264 0.938 . . . . 10.0 110.492 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.78 -45.64 88.84 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.3 -47.04 62.7 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.493 0.588 . . . . 10.0 110.821 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -61.75 -46.51 89.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.077 1.351 . . . . 10.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.6 -34.4 76.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.539 -0.726 . . . . 10.0 110.983 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.27 -46.36 80.79 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 120.984 -1.072 . . . . 10.0 110.55 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -51.33 -47.6 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.09 -50.82 63.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 119.245 -0.407 . . . . 10.0 110.336 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmpm? -56.89 -40.31 76.0 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.868 0.758 . . . . 10.0 112.162 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.1 mt -54.05 -54.14 43.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 119.274 0.943 . . . . 10.0 109.262 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -53.19 -54.79 15.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 118.672 -0.68 . . . . 10.0 109.875 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -54.27 -49.39 69.68 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.024 0.829 . . . . 10.0 111.893 -177.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.81 0.444 . . . . 10.0 111.446 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.17 -32.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.457 0.703 . . . . 10.0 110.971 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -156.09 91.16 2.68 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.265 1.826 . . . . 10.0 108.816 -168.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.29 99.19 0.29 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.822 2.348 . . . . 10.0 110.651 -174.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.8 m -93.92 133.59 27.45 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 10.0 109.693 -170.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.15 -49.68 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.439 2.759 . . . . 10.0 113.65 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.78 141.97 19.72 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 117.749 -1.119 . . . . 10.0 109.342 -169.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -42.1 -44.03 7.39 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.512 2.808 . . . . 10.0 113.735 170.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -36.98 59.63 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.633 -0.667 . . . . 10.0 112.188 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -25.06 62.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.165 0.586 . . . . 10.0 111.454 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.59 -15.63 29.91 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.69 -14.91 60.37 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.47 147.88 51.8 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 0.933 . . . . 10.0 111.181 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -60.82 -48.7 80.6 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.642 0.777 . . . . 10.0 112.584 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -55.5 -47.26 76.47 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.403 -0.962 . . . . 10.0 108.403 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.9 mmm -64.03 -48.86 74.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.669 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.58 -44.05 65.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.34 0.973 . . . . 10.0 110.551 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -61.67 -49.52 76.19 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.873 -0.517 . . . . 10.0 111.115 175.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.87 -36.92 84.87 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.584 -0.697 . . . . 10.0 111.092 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.83 -50.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 10.0 108.646 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.1 -50.35 67.04 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.318 0.508 . . . . 10.0 110.51 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.08 -51.51 66.15 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.263 0.225 . . . . 10.0 111.054 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.45 83.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.575 0.75 . . . . 10.0 111.2 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -55.3 -54.14 47.31 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.281 0.632 . . . . 10.0 110.235 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -51.8 -56.96 10.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.058 0.543 . . . . 10.0 110.344 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -45.48 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.574 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -56.73 -45.67 81.8 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.419 -0.801 . . . . 10.0 110.896 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.31 -51.06 53.64 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 10.0 110.974 173.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -52.79 -49.88 64.71 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.422 -0.458 . . . . 10.0 110.643 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.8 mmt -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 119.502 -0.285 . . . . 10.0 111.347 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.42 -47.83 66.09 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.879 0.871 . . . . 10.0 110.067 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -69.13 -42.9 75.41 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -67.72 -38.32 83.41 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.43 109.27 6.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -169.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -48.35 -52.2 22.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.749 1.22 . . . . 10.0 112.498 170.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.1 t -121.57 163.11 19.44 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.438 1.495 . . . . 10.0 110.78 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.92 -37.71 69.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 10.0 109.686 169.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -54.93 -52.13 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.386 0.612 . . . . 10.0 109.937 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.81 -50.08 74.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.698 0.799 . . . . 10.0 108.906 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -51.13 -52.31 45.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.783 0.833 . . . . 10.0 111.63 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -55.95 -52.14 65.19 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.978 -0.452 . . . . 10.0 110.653 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -55.63 -62.35 1.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.354 0.3 OUTLIER -64.91 -27.83 69.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.765 0.711 . . . . 10.0 112.494 -174.839 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.04 -54.37 31.31 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.843 1.201 . . . . 10.0 110.712 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.63 74.68 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.084 -0.385 . . . . 10.0 110.649 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.67 -50.49 70.11 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 123.415 0.686 . . . . 10.0 110.328 174.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -54.71 -50.62 67.87 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.71 -0.619 . . . . 10.0 110.412 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.84 -55.02 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -54.7 15.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.629 1.172 . . . . 10.0 109.391 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.27 -48.22 81.14 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.262 0.625 . . . . 10.0 111.552 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.61 -48.77 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 119.923 1.238 . . . . 10.0 110.225 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -56.78 -48.36 78.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.826 -0.546 . . . . 10.0 111.043 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -64.95 -51.88 59.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.991 0.516 . . . . 10.0 112.115 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -79.48 -59.72 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 124.963 1.305 . . . . 10.0 111.088 -172.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -80.42 -51.46 8.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.393 1.077 . . . . 10.0 111.283 -169.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -78.98 37.06 0.29 Allowed 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 -170.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -75.98 -39.86 54.99 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.818 1.247 . . . . 10.0 109.131 169.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -74.05 44.27 0.18 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.856 1.663 . . . . 10.0 110.63 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -40.45 -58.72 1.49 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.14 1.776 . . . . 10.0 115.29 -168.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -67.21 -24.08 65.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.6 m -76.55 72.89 3.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.46 0.704 . . . . 10.0 111.196 -172.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -69.41 60.19 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.508 1.523 . . . . 10.0 111.486 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 116.639 -1.648 . . . . 10.0 111.169 -176.851 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -53.92 -47.71 70.93 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.512 0.596 . . . . 10.0 112.357 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -54.7 -45.13 73.94 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.894 0.477 . . . . 10.0 110.304 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.45 67.26 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.23 -0.655 . . . . 10.0 109.23 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.03 -54.48 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.766 0.826 . . . . 10.0 110.155 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -66.59 -51.45 56.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 119.39 -0.338 . . . . 10.0 110.76 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.92 -47.38 77.6 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.416 0.553 . . . . 10.0 110.412 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 42.5 tp -54.73 -50.72 67.67 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.076 0.95 . . . . 10.0 110.564 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.85 -54.71 43.04 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.21 0.529 . . . . 10.0 110.615 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.96 -38.3 90.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.547 1.139 . . . . 10.0 112.306 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.49 -54.78 10.6 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.705 0.684 . . . . 10.0 110.552 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -54.21 47.63 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -177.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.2 mtt -47.76 -46.15 29.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.69 0.796 . . . . 10.0 111.436 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 55.4 p -71.27 -9.69 58.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.817 1.043 . . . . 10.0 113.817 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.9 m -49.27 -35.98 19.34 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.287 0.847 . . . . 10.0 113.287 -169.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.78 -48.07 80.73 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.2 0.909 . . . . 10.0 111.918 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -65.33 -40.5 93.78 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 122.808 0.443 . . . . 10.0 110.351 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -54.41 -54.47 40.18 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.482 0.658 . . . . 10.0 109.591 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.5 -51.85 67.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.894 1.678 . . . . 10.0 109.855 -176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -64.85 -35.47 81.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.843 -0.598 . . . . 10.0 111.845 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.84 -67.24 0.02 OUTLIER Glycine 0 CA--C 1.525 0.717 0 CA-C-N 118.678 0.672 . . . . 10.0 113.679 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.97 66.85 5.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 117.756 0.778 . . . . 10.0 112.219 -169.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -62.57 64.53 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.429 2.292 . . . . 10.0 115.06 -171.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.94 64.13 2.39 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.792 -1.192 . . . . 10.0 110.185 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.218 -1.372 . . . . 10.0 110.812 179.057 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 107.532 -1.284 . . . . 10.0 107.532 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.9 59.07 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 118.395 0.543 . . . . 10.0 112.158 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -80.73 -9.73 59.78 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.857 1.263 . . . . 10.0 114.158 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -39.77 -49.99 2.35 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.798 1.239 . . . . 10.0 114.299 -169.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -55.76 -22.09 22.28 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 -174.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -67.18 -28.53 68.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.509 0.595 . . . . 10.0 111.992 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.53 100.85 4.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.332 0.586 . . . . 10.0 111.588 -169.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -85.89 165.05 17.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.507 1.523 . . . . 10.0 111.157 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -45.86 -42.38 12.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.657 1.983 . . . . 10.0 112.095 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.43 -46.43 90.14 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.76 -0.588 . . . . 10.0 110.77 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.19 -42.14 89.27 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -53.13 -46.45 68.78 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.092 0.405 . . . . 10.0 110.275 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.0 m -59.53 -49.13 78.98 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.156 0.982 . . . . 10.0 110.654 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -61.94 -40.39 95.38 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.826 -0.546 . . . . 10.0 110.759 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.03 -45.62 91.4 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.587 -0.696 . . . . 10.0 110.932 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.5 t -52.38 -47.0 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.442 -0.786 . . . . 10.0 109.773 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -56.25 -50.01 72.55 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.663 -0.648 . . . . 10.0 110.724 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -49.87 -47.07 52.11 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 118.727 -0.654 . . . . 10.0 111.152 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -52.98 -55.92 19.95 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.932 0.787 . . . . 10.0 109.988 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -53.24 -55.51 12.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.606 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -65.26 -36.12 83.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.084 1.311 . . . . 10.0 112.797 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.92 84.97 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.658 -0.651 . . . . 10.0 111.13 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.53 -54.22 17.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -133.93 93.25 20.68 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 127.761 2.424 . . . . 10.0 109.849 -169.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.5 81.43 0.42 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 123.443 2.762 . . . . 10.0 109.914 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.4 m -59.87 124.9 78.84 Favored Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 125.272 1.429 . . . . 10.0 111.037 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.94 -50.66 11.34 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.69 3.593 . . . . 10.0 114.5 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -143.43 134.8 12.71 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-O 117.819 -1.086 . . . . 10.0 109.13 -173.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -42.21 -44.44 7.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.804 3.003 . . . . 10.0 113.86 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.767 -0.583 . . . . 10.0 112.052 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.63 58.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.191 0.596 . . . . 10.0 111.559 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.9 mt -57.19 -22.04 37.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.186 0.594 . . . . 10.0 112.338 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -62.54 -28.1 69.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.478 0.581 . . . . 10.0 112.261 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.08 137.21 57.54 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.901 0.773 . . . . 10.0 110.55 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -50.06 -40.43 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.002 0.921 . . . . 10.0 112.62 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -53.55 -49.62 67.25 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 10.0 109.723 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.9 mmm -69.51 -44.06 71.82 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 118.908 -0.568 . . . . 10.0 109.812 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -49.19 -44.4 43.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.671 0.669 . . . . 10.0 110.624 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -59.95 -46.14 90.36 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.148 -0.345 . . . . 10.0 111.317 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.68 -40.53 95.56 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.736 -0.603 . . . . 10.0 110.911 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.15 -52.22 61.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 124.426 1.09 . . . . 10.0 108.853 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.75 -49.01 74.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.169 0.588 . . . . 10.0 110.928 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -52.0 -54.5 29.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.91 0.484 . . . . 10.0 110.273 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.32 86.04 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.225 0.61 . . . . 10.0 111.115 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.28 -53.99 50.69 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.076 0.398 . . . . 10.0 110.395 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -52.3 -55.59 20.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.788 0.835 . . . . 10.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.14 -51.6 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.142 0.977 . . . . 10.0 110.405 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -55.45 -48.95 73.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.115 0.87 . . . . 10.0 111.168 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.82 -54.23 32.05 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.58 -50.22 54.34 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.456 0.703 . . . . 10.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.8 mmt -59.24 -45.5 90.99 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 119.083 -0.484 . . . . 10.0 111.374 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.27 -51.89 60.81 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.357 0.526 . . . . 10.0 110.137 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.73 -32.75 72.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 m -69.86 -42.4 73.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.769 -0.582 . . . . 10.0 112.029 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.26 113.23 5.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.106 0.962 . . . . 10.0 113.023 -169.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -61.49 -23.03 65.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.07 0.948 . . . . 10.0 113.041 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 m -154.55 151.3 28.71 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.16 -0.962 . . . . 10.0 109.884 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -53.73 -51.01 64.68 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.705 0.764 . . . . 10.0 111.402 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.12 -44.68 21.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.042 0.537 . . . . 10.0 111.927 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.24 -48.32 76.26 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -49.34 -48.42 46.61 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.556 0.742 . . . . 10.0 111.317 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -60.52 -52.58 64.57 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.598 -0.689 . . . . 10.0 111.505 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -52.7 -64.36 0.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.165 0.586 . . . . 10.0 111.544 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.3 OUTLIER -63.0 -28.24 69.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.792 0.724 . . . . 10.0 112.824 -175.282 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.54 -58.18 7.81 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.716 1.144 . . . . 10.0 110.697 170.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.49 -44.46 76.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.912 -0.492 . . . . 10.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -55.95 -50.84 69.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.513 0.725 . . . . 10.0 110.231 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -55.57 -49.77 71.84 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.384 0.538 . . . . 10.0 110.696 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.2 mt -51.88 -51.16 30.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.429 ' CE1' HD23 ' B' ' 95' ' ' LEU . 5.4 t80 -56.08 -50.33 71.32 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 -177.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -53.89 -49.49 68.44 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.963 -0.541 . . . . 10.0 111.184 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -51.14 -56.32 5.21 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 118.74 0.7 . . . . 10.0 109.79 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -65.43 -41.15 93.84 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 118.78 -1.168 . . . . 10.0 111.893 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -57.57 -47.8 81.1 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 120.488 -1.382 . . . . 10.0 110.636 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 CA--C 1.537 0.456 0 C-N-CA 124.232 1.013 . . . . 10.0 111.094 179.751 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 113.343 0.868 . . . . 10.0 113.343 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.0 -45.61 82.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.216 0.606 . . . . 10.0 110.276 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.56 -44.86 89.42 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.6 mm -51.75 -57.65 3.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.657 0.742 . . . . 10.0 109.216 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpp? -66.75 -38.8 87.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.277 -0.874 . . . . 10.0 111.274 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -59.82 -54.85 41.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.613 1.097 . . . . 10.0 110.864 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 73' ' ' TYR . 26.6 tp -58.21 -43.34 87.61 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.234 -0.291 . . . . 10.0 110.405 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.15 -55.98 23.32 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.293 0.568 . . . . 10.0 110.97 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.1 tp -58.75 -38.06 77.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 125.195 1.398 . . . . 10.0 111.514 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 56.1 tp -45.51 -49.39 13.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.544 0.738 . . . . 10.0 110.695 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -68.15 -52.16 37.81 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.4 mtt -56.83 -36.29 69.81 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.493 0.717 . . . . 10.0 112.798 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 96.3 p -55.03 -46.35 75.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.776 0.83 . . . . 10.0 112.156 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -24.54 -69.5 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.51 2.324 . . . . 10.0 115.595 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.22 -38.87 71.61 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.787 -0.57 . . . . 10.0 111.852 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 . . . . . 0 N--CA 1.454 -0.24 0 C-N-CA 123.968 0.907 . . . . 10.0 108.82 179.089 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 112.087 0.402 . . . . 10.0 112.087 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -74.58 0.54 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -56.18 -23.11 33.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.512 1.525 . . . . 10.0 112.131 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.21 -33.18 5.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.165 1.386 . . . . 10.0 111.902 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.88 -28.46 36.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.802 0.841 . . . . 10.0 112.187 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -85.43 -57.42 3.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.806 0.842 . . . . 10.0 109.706 172.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.19 87.88 2.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.405 -169.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.9 p -80.89 166.41 20.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.462 1.505 . . . . 10.0 111.925 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -47.13 -43.91 21.12 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.852 2.061 . . . . 10.0 111.644 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -53.75 -54.72 34.2 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.347 0.659 . . . . 10.0 110.793 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.26 -41.79 96.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtt180 -53.79 -51.12 64.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.251 0.478 . . . . 10.0 110.309 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.5 t -60.09 -49.21 78.56 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.657 0.783 . . . . 10.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -61.05 -41.44 96.61 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.759 -0.588 . . . . 10.0 110.072 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.66 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.995 -1.066 . . . . 10.0 111.221 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 t -49.02 -50.05 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.806 0.73 . . . . 10.0 109.668 173.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -52.72 -51.11 61.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.017 -0.516 . . . . 10.0 110.924 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -56.76 -37.81 71.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.272 0.942 . . . . 10.0 112.355 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.08 -53.68 55.47 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 119.648 1.113 . . . . 10.0 109.506 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.2 t -52.08 -52.47 23.65 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-O 118.534 -0.746 . . . . 10.0 109.973 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -57.39 -50.96 71.31 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.163 0.892 . . . . 10.0 111.33 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.88 81.95 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.802 -0.561 . . . . 10.0 111.648 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.56 -41.76 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 122.896 0.478 . . . . 10.0 110.687 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -151.92 90.42 3.88 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 125.999 1.719 . . . . 10.0 110.049 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.05 121.29 9.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.435 2.09 . . . . 10.0 110.695 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.8 p -81.55 124.11 80.3 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 117.675 -1.155 . . . . 10.0 110.416 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.85 -39.03 31.45 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 123.516 2.811 . . . . 10.0 113.529 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -146.46 136.04 11.65 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -45.79 -42.37 19.65 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.266 2.644 . . . . 10.0 112.907 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.31 -24.84 20.74 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.678 -0.639 . . . . 10.0 112.641 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.12 67.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.814 -0.554 . . . . 10.0 112.221 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.0 mt -47.61 -38.0 13.71 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.117 0.967 . . . . 10.0 112.931 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -77.48 -5.86 51.43 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.91 143.8 57.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.315 0.961 . . . . 10.0 111.552 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -40.99 -43.25 2.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.756 1.622 . . . . 10.0 113.479 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -70.57 -58.0 4.15 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -52.99 -42.1 65.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.381 1.072 . . . . 10.0 112.103 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -46.0 -37.0 6.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.862 0.865 . . . . 10.0 112.579 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -65.06 -49.11 71.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.325 0.583 . . . . 10.0 110.516 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.92 -41.6 95.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.179 0.592 . . . . 10.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.8 -51.73 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.251 0.621 . . . . 10.0 109.523 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.88 75.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.805 0.442 . . . . 10.0 110.778 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -54.91 -51.28 66.53 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.71 0.232 . . . . 10.0 110.622 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.21 83.11 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.986 0.515 . . . . 10.0 111.052 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -54.72 -54.42 42.15 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -53.31 -54.18 40.22 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.408 0.683 . . . . 10.0 110.471 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -46.36 96.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 122.8 0.44 . . . . 10.0 110.44 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -56.47 -46.32 80.48 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.761 0.709 . . . . 10.0 110.609 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.84 -53.7 35.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.096 -0.802 . . . . 10.0 111.096 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -50.59 -50.67 53.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.91 0.884 . . . . 10.0 110.533 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.44 -46.15 91.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.169 -0.443 . . . . 10.0 111.085 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -53.42 -50.49 65.09 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.429 0.559 . . . . 10.0 110.211 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.72 -41.7 95.79 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.395 0.278 . . . . 10.0 111.624 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 m -66.22 -35.47 80.53 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.59 108.18 4.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -169.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -54.97 -34.79 63.63 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.369 1.067 . . . . 10.0 112.456 169.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -141.85 162.5 35.32 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.488 1.115 . . . . 10.0 109.918 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -57.61 -44.5 85.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.103 0.561 . . . . 10.0 110.125 169.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -50.59 -53.09 33.33 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.897 0.479 . . . . 10.0 110.513 173.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -55.84 -53.45 56.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.13 -50.97 26.8 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.565 1.146 . . . . 10.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -60.5 -52.01 67.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.852 -0.53 . . . . 10.0 111.07 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -53.23 -62.27 1.76 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.671 0.388 . . . . 10.0 111.971 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -65.31 -29.02 69.73 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.699 -0.667 . . . . 10.0 112.761 -175.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.3 mt -66.05 -53.98 31.6 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.94 1.246 . . . . 10.0 110.991 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.77 78.07 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.915 -0.491 . . . . 10.0 109.995 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.65 -44.25 90.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.213 0.605 . . . . 10.0 110.931 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -56.42 -52.89 62.96 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.83 0.741 . . . . 10.0 110.49 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.4 mt -51.46 -54.25 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.133 0.492 . . . . 10.0 110.111 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -51.48 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.769 1.228 . . . . 10.0 109.271 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mmpp? -52.25 -51.89 55.75 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.802 -1.094 . . . . 10.0 111.087 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -54.42 -56.84 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 120.653 1.569 . . . . 10.0 109.548 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.55 -27.08 62.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 10.0 112.685 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -79.4 -69.85 0.55 Allowed 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.333 -0.854 . . . . 10.0 110.207 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 127.209 2.204 . . . . 10.0 112.455 -173.406 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -53.3 57.7 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.799 0.84 . . . . 10.0 108.851 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -56.08 -49.95 72.38 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 125.455 1.502 . . . . 10.0 109.291 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.52 -51.2 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.67 -48.59 68.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.295 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -60.93 -41.52 96.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.489 1.04 . . . . 10.0 110.863 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.19 -54.03 50.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.184 0.593 . . . . 10.0 110.389 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.04 -52.57 65.17 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.449 0.642 . . . . 10.0 110.124 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.12 -43.86 91.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.407 1.483 . . . . 10.0 111.215 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.1 tp -49.62 -55.18 14.55 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.339 0.656 . . . . 10.0 110.96 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.5 -52.7 63.43 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.0 mtt -49.51 -39.31 33.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.705 0.802 . . . . 10.0 112.327 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -68.64 -11.32 59.95 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.308 -0.87 . . . . 10.0 112.888 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 20.8 m -60.21 -48.31 82.26 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.764 1.166 . . . . 10.0 110.16 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.53 -43.03 99.81 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.715 -0.616 . . . . 10.0 110.33 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 CA-C-N 118.024 0.375 . . . . 10.0 110.689 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.11 -72.99 0.9 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 120.97 -1.081 . . . . 10.0 110.999 -171.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -50.19 -36.43 30.5 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.166 1.386 . . . . 10.0 112.207 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -35.5 -43.43 0.26 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.794 2.037 . . . . 10.0 111.844 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.41 -36.59 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.065 0.946 . . . . 10.0 112.993 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.71 -44.79 55.45 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.554 0.692 . . . . 10.0 109.496 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.16 87.87 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 121.794 0.807 . . . . 10.0 109.714 -173.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.6 p -69.59 166.0 19.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.651 1.18 . . . . 10.0 112.198 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -50.86 -39.87 54.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.531 -1.213 . . . . 10.0 111.266 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.94 -51.03 71.33 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.507 0.594 . . . . 10.0 110.288 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.52 -44.53 94.03 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 119.185 -0.436 . . . . 10.0 110.206 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -49.84 -53.48 25.3 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.861 0.755 . . . . 10.0 110.682 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 m -58.35 -44.41 88.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.425 1.49 . . . . 10.0 110.712 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.01 -44.7 91.8 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.867 -0.521 . . . . 10.0 110.754 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.84 -45.17 93.86 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.31 -0.869 . . . . 10.0 110.96 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 t -49.68 -48.43 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.679 0.792 . . . . 10.0 109.847 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -56.04 -51.05 69.19 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.609 -0.682 . . . . 10.0 110.966 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -50.84 -43.94 59.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.743 0.701 . . . . 10.0 111.871 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.25 -52.12 66.6 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.028 0.831 . . . . 10.0 110.671 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -53.23 -48.84 54.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.747 0.703 . . . . 10.0 110.262 176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.4 -44.52 89.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.483 0.583 . . . . 10.0 111.311 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.07 99.73 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.639 -0.663 . . . . 10.0 111.686 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.42 -39.24 83.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.638 0.775 . . . . 10.0 110.482 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -165.81 94.42 0.82 Allowed Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 10.0 110.123 -168.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.48 105.5 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.296 2.664 . . . . 10.0 111.037 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 m -76.24 122.52 86.94 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.792 1.237 . . . . 10.0 110.838 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -48.37 -56.94 2.67 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.345 3.363 . . . . 10.0 113.702 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -134.3 126.98 18.69 Favored Pre-proline 0 N--CA 1.45 -0.438 0 C-N-CA 124.652 1.181 . . . . 10.0 108.251 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -42.34 -42.54 7.79 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 124.334 3.356 . . . . 10.0 114.015 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.28 -35.36 12.02 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.922 0.712 . . . . 10.0 112.922 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.43 49.51 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.645 0.778 . . . . 10.0 112.313 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -54.28 -24.81 20.34 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.447 0.699 . . . . 10.0 111.914 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.37 -12.8 61.83 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.62 143.48 28.41 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.6 1.091 . . . . 10.0 112.134 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -51.01 -39.5 55.94 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.832 1.653 . . . . 10.0 112.637 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.99 -57.41 13.22 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mmm -60.01 -38.48 82.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.784 -0.572 . . . . 10.0 111.108 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -49.37 -35.92 20.19 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.664 0.785 . . . . 10.0 111.853 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.86 -45.16 79.01 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.806 -0.559 . . . . 10.0 110.997 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.24 -46.05 88.71 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.797 -0.565 . . . . 10.0 109.644 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.76 -50.55 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.926 0.89 . . . . 10.0 109.902 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.24 74.31 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.225 0.61 . . . . 10.0 111.07 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.0 -51.52 56.79 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.768 0.427 . . . . 10.0 110.289 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.91 84.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.169 0.587 . . . . 10.0 111.832 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -55.19 -52.34 63.66 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.502 0.721 . . . . 10.0 110.234 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.18 -59.24 4.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.824 0.85 . . . . 10.0 110.171 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -46.74 93.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.231 -172.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -57.76 -42.21 83.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.357 -0.839 . . . . 10.0 110.435 173.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.96 -55.64 20.18 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.391 -1.084 . . . . 10.0 110.391 171.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.27 -47.74 62.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.323 0.561 . . . . 10.0 111.313 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.0 mmt -60.94 -47.83 84.64 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 122.127 -0.358 . . . . 10.0 111.607 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.13 -39.92 76.1 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.983 1.313 . . . . 10.0 110.749 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.7 -47.04 64.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.847 0.859 . . . . 10.0 111.525 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -72.95 -29.88 63.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.556 0.947 . . . . 10.0 113.556 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.18 117.23 16.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 122.17 0.986 . . . . 10.0 112.9 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -82.8 -12.42 57.5 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.657 1.183 . . . . 10.0 112.041 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.6 t -150.68 161.87 41.77 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.241 1.016 . . . . 10.0 108.662 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.85 -41.75 92.1 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.704 1.202 . . . . 10.0 110.078 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -54.14 -47.68 71.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.593 0.357 . . . . 10.0 111.386 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -60.06 -52.58 64.75 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -46.92 -51.32 17.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.88 0.872 . . . . 10.0 111.914 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.57 -48.6 76.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.796 -0.565 . . . . 10.0 111.618 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -53.72 -60.93 2.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.414 0.552 . . . . 10.0 112.06 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.355 0.4 OUTLIER -66.87 -30.03 70.09 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.888 0.767 . . . . 10.0 112.59 -174.703 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.07 -50.52 65.83 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.737 1.153 . . . . 10.0 111.223 170.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -48.81 76.03 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.929 -0.482 . . . . 10.0 110.067 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.89 -46.13 74.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.317 1.047 . . . . 10.0 111.054 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -57.36 -52.88 63.56 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.684 0.675 . . . . 10.0 110.344 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.1 mt -51.64 -53.31 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.874 -0.516 . . . . 10.0 110.869 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -51.36 57.97 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.013 1.325 . . . . 10.0 109.387 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -56.19 -51.27 68.65 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.962 0.905 . . . . 10.0 111.553 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -52.99 -55.88 10.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 119.682 1.128 . . . . 10.0 109.632 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.12 -34.76 73.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -70.55 -52.22 23.15 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.202 0.91 . . . . 10.0 111.24 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 125.119 1.368 . . . . 10.0 111.123 -172.711 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -59.04 -45.05 91.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.117 0.567 . . . . 10.0 110.705 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -62.3 -46.17 89.94 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.23 -51.03 59.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.924 0.489 . . . . 10.0 110.651 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -66.93 -49.78 64.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.791 -0.568 . . . . 10.0 111.125 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -53.09 -47.97 68.12 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.287 0.494 . . . . 10.0 110.528 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.69 -53.46 58.1 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.63 0.772 . . . . 10.0 111.209 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.06 -49.36 78.16 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.108 0.48 . . . . 10.0 109.929 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.29 -43.36 96.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.428 1.091 . . . . 10.0 111.67 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.63 -48.51 63.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.268 0.627 . . . . 10.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.32 -54.08 38.77 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.8 mtt -47.47 -44.77 25.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.893 0.877 . . . . 10.0 111.621 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t -63.85 -9.61 15.92 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.172 1.389 . . . . 10.0 113.633 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 61.0 m -55.53 -31.81 62.41 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 119.935 1.243 . . . . 10.0 112.017 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -47.03 -44.27 20.4 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.863 0.756 . . . . 10.0 111.08 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.559 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 tptt . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.3 -76.53 0.48 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 109.917 -1.273 . . . . 10.0 109.917 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -50.54 -34.96 27.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.861 1.264 . . . . 10.0 111.021 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -32.15 -45.08 0.1 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.675 2.39 . . . . 10.0 112.083 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -50.11 -37.44 34.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.634 0.774 . . . . 10.0 112.616 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -78.23 -52.74 8.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.947 0.88 . . . . 10.0 109.336 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.15 77.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-O 122.823 1.297 . . . . 10.0 109.7 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.2 p -75.1 162.93 28.09 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.647 1.979 . . . . 10.0 110.343 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -50.11 -36.92 31.66 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.376 0.671 . . . . 10.0 112.092 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.95 -48.18 80.71 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.365 0.984 . . . . 10.0 110.851 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.86 -43.44 83.56 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -51.63 -48.54 63.29 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.633 0.651 . . . . 10.0 110.643 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.5 m -59.82 -47.28 86.34 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.648 1.579 . . . . 10.0 110.8 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -58.68 -45.42 89.47 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.986 -0.446 . . . . 10.0 109.898 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.02 -45.53 91.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.256 -0.902 . . . . 10.0 111.238 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.7 t -50.96 -50.03 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.529 -0.732 . . . . 10.0 110.239 170.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -54.79 -48.68 72.4 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.632 -0.667 . . . . 10.0 110.186 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -56.02 -41.22 74.6 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-O 118.354 -0.832 . . . . 10.0 112.3 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.96 -54.05 47.77 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.805 1.184 . . . . 10.0 108.954 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -53.55 -52.88 29.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 CA-C-O 118.271 -0.871 . . . . 10.0 110.099 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -58.35 -51.78 68.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.519 1.054 . . . . 10.0 112.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.22 82.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.2 0.6 . . . . 10.0 111.066 -172.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.37 -51.54 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 109.95 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -141.27 90.64 9.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 127.465 2.306 . . . . 10.0 110.667 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.71 123.82 14.62 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.498 2.132 . . . . 10.0 110.843 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.8 p -91.92 119.99 68.1 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 117.835 -1.078 . . . . 10.0 110.256 -175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -49.12 -40.57 41.85 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.531 2.82 . . . . 10.0 113.938 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.16 134.46 11.31 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 117.8 -1.095 . . . . 10.0 108.736 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.42 -42.67 13.91 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.592 2.861 . . . . 10.0 113.577 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.8 52.29 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.513 -0.742 . . . . 10.0 112.033 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -26.09 51.79 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.263 0.625 . . . . 10.0 111.758 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -52.66 -26.73 14.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.254 0.622 . . . . 10.0 112.22 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -67.66 -21.87 65.33 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.52 133.55 55.84 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.404 -0.81 . . . . 10.0 110.215 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -47.37 -43.95 23.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.228 1.011 . . . . 10.0 113.409 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.6 96.29 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.496 -0.752 . . . . 10.0 109.757 177.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.65 -44.11 94.79 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.086 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.2 -41.6 68.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.418 1.008 . . . . 10.0 110.824 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -61.19 -48.8 79.89 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.792 -0.568 . . . . 10.0 111.617 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.79 -40.89 96.81 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.64 -51.04 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.658 1.583 . . . . 10.0 109.017 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.82 76.12 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.192 0.451 . . . . 10.0 110.85 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.06 -51.81 65.16 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.29 0.236 . . . . 10.0 110.4 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.38 80.54 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.241 0.617 . . . . 10.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.14 -54.11 50.47 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.094 0.558 . . . . 10.0 110.438 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -52.88 -54.18 38.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.508 0.723 . . . . 10.0 110.326 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -46.42 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.465 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.3 -43.08 74.49 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.405 1.002 . . . . 10.0 110.857 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.02 -54.66 27.79 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.02 -47.64 64.91 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.77 0.428 . . . . 10.0 110.851 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.17 -47.76 84.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.834 0.454 . . . . 10.0 111.304 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -53.04 -44.67 67.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.433 1.093 . . . . 10.0 110.101 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.92 -41.5 64.5 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.903 0.705 . . . . 10.0 112.903 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -65.17 -41.77 94.31 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.447 -0.783 . . . . 10.0 111.279 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.55 99.01 7.86 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.518 0.727 . . . . 10.0 112.324 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.73 37.26 0.23 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.48 -1.388 . . . . 10.0 111.774 172.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -173.84 152.15 1.94 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.772 1.629 . . . . 10.0 108.837 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -59.56 -42.51 92.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.515 0.726 . . . . 10.0 110.061 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.29 -57.22 11.31 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.363 1.065 . . . . 10.0 109.729 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -56.94 -48.4 78.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.82 -51.03 59.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.936 0.494 . . . . 10.0 111.817 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -58.36 -50.63 72.98 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.883 -0.511 . . . . 10.0 110.752 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -52.6 -61.97 1.94 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.337 0.5 OUTLIER -66.15 -28.79 69.05 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.004 0.82 . . . . 10.0 112.81 -174.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.0 mt -64.48 -53.03 54.52 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.772 1.169 . . . . 10.0 110.235 171.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.11 79.15 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.03 -0.419 . . . . 10.0 110.392 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.3 -44.96 84.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.469 0.708 . . . . 10.0 110.815 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -56.93 -52.52 64.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.37 0.532 . . . . 10.0 110.235 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.13 -54.74 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 121.325 0.583 . . . . 10.0 110.148 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -54.59 21.31 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.353 1.461 . . . . 10.0 109.186 -177.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.61 -52.77 64.06 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.134 0.973 . . . . 10.0 110.77 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -47.89 -59.91 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 119.615 1.098 . . . . 10.0 109.147 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -52.39 -55.09 24.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.762 -0.375 . . . . 10.0 111.156 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -58.17 -61.58 2.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.293 0.637 . . . . 10.0 112.688 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.836 1.255 . . . . 10.0 109.75 -179.531 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 113.356 0.873 . . . . 10.0 113.356 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.54 -39.92 92.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.55 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -48.76 78.79 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.76 -53.03 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.253 0.621 . . . . 10.0 110.005 174.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.41 -51.26 64.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.218 -0.42 . . . . 10.0 110.979 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -52.7 -49.32 65.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.419 0.554 . . . . 10.0 110.429 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.22 -50.21 73.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.082 0.953 . . . . 10.0 110.881 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.19 -53.35 59.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.618 0.723 . . . . 10.0 110.225 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.18 -40.73 82.25 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.026 1.33 . . . . 10.0 111.862 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.9 tp -47.8 -49.8 27.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.953 0.901 . . . . 10.0 111.002 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.04 -51.0 43.53 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 64.0 mtt -52.44 -38.57 59.53 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.571 -0.706 . . . . 10.0 112.127 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -62.3 -9.96 9.59 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -56.48 -34.42 66.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.681 1.128 . . . . 10.0 112.055 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.07 -53.76 48.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.703 1.138 . . . . 10.0 110.391 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.232 0.158 0 C-N-CA 124.18 0.992 . . . . 10.0 109.7 -178.825 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.9 -63.71 3.78 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.003 -1.639 . . . . 10.0 109.003 -170.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -62.15 -26.52 68.37 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.867 0.467 . . . . 10.0 111.681 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -43.78 -46.96 7.95 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.789 1.236 . . . . 10.0 112.066 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.74 -29.3 64.64 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.743 0.817 . . . . 10.0 112.383 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -75.85 -14.93 60.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.745 0.818 . . . . 10.0 111.3 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -129.62 84.04 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.848 1.259 . . . . 10.0 108.433 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -74.17 165.46 25.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.512 1.125 . . . . 10.0 111.535 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -49.46 -39.67 34.2 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.906 -1.043 . . . . 10.0 111.992 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.09 -47.16 86.27 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.365 0.984 . . . . 10.0 110.642 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.94 -43.97 86.43 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -51.84 -48.25 64.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.337 0.517 . . . . 10.0 110.784 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 61.5 m -63.31 -45.92 89.11 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.109 1.363 . . . . 10.0 110.674 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -67.61 -32.55 73.35 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.457 -0.777 . . . . 10.0 110.698 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.63 -43.51 89.28 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 120.616 -1.303 . . . . 10.0 110.814 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -51.34 -48.11 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -53.37 -51.55 62.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.098 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -53.22 -43.23 67.09 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.506 0.593 . . . . 10.0 111.571 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 mt -57.28 -53.2 60.81 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 119.161 0.892 . . . . 10.0 110.206 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.59 -49.16 34.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.503 -0.76 . . . . 10.0 109.729 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -62.51 -46.23 89.37 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.288 0.949 . . . . 10.0 111.897 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.5 86.35 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.849 0.86 . . . . 10.0 111.523 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.99 -43.75 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.167 0.587 . . . . 10.0 110.473 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -147.68 92.65 4.71 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.262 1.825 . . . . 10.0 110.701 -168.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -60.18 109.96 0.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 121.837 1.691 . . . . 10.0 108.812 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 m -79.92 125.7 81.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 123.776 0.83 . . . . 10.0 110.808 -169.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.72 -48.83 18.9 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.329 3.352 . . . . 10.0 113.987 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -151.68 137.56 11.22 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 117.492 -1.242 . . . . 10.0 108.05 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -42.49 -43.96 8.28 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.518 2.812 . . . . 10.0 113.712 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.92 60.2 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.728 -0.608 . . . . 10.0 112.011 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.78 42.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.575 0.75 . . . . 10.0 112.063 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.74 -17.92 10.73 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -59.87 -30.31 68.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.935 0.789 . . . . 10.0 112.587 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.99 133.42 55.32 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.841 -0.537 . . . . 10.0 110.058 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -45.67 -45.49 14.13 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.535 1.134 . . . . 10.0 112.354 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -48.81 -55.72 10.79 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.325 1.05 . . . . 10.0 110.245 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.46 -43.86 80.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.508 -176.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -51.57 -45.45 63.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.957 0.799 . . . . 10.0 110.499 175.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -64.37 -45.98 85.35 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.86 -0.525 . . . . 10.0 111.034 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.4 -39.28 92.72 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.511 -0.743 . . . . 10.0 111.116 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -59.91 -50.18 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 126.229 1.811 . . . . 10.0 108.235 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.76 -49.47 70.79 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.176 0.444 . . . . 10.0 110.781 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -55.25 -49.87 70.94 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.011 0.369 . . . . 10.0 110.824 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.08 86.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.802 0.441 . . . . 10.0 111.137 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.63 -53.36 55.79 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.513 0.725 . . . . 10.0 110.042 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.25 -52.9 59.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.015 0.526 . . . . 10.0 110.917 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -47.36 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 122.052 -0.405 . . . . 10.0 110.694 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -56.84 -45.47 82.36 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.564 -0.71 . . . . 10.0 110.445 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.06 22.99 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.574 -1.011 . . . . 10.0 110.574 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -51.16 -49.5 60.76 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.286 0.634 . . . . 10.0 110.893 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.3 mmt -58.23 -48.04 81.63 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.61 -0.233 . . . . 10.0 111.074 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -56.5 -47.96 78.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.243 0.617 . . . . 10.0 110.738 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.46 -34.63 77.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.519 0.728 . . . . 10.0 111.802 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.3 t -71.72 -48.11 49.36 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.539 0.685 . . . . 10.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.45 108.29 2.76 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.208 1.003 . . . . 10.0 113.093 -169.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -6.25 41.78 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.447 -0.783 . . . . 10.0 112.421 175.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.8 m -155.5 152.66 29.18 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.675 -1.266 . . . . 10.0 110.196 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -54.97 -47.97 73.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.653 1.181 . . . . 10.0 111.798 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -51.03 -46.92 61.74 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.957 -0.464 . . . . 10.0 111.073 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.2 -51.54 69.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -49.36 -47.94 47.11 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.301 0.64 . . . . 10.0 111.874 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.88 -47.92 73.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.873 -0.517 . . . . 10.0 111.195 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -53.34 -61.52 2.25 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.338 0.3 OUTLIER -64.79 -29.35 70.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.994 0.815 . . . . 10.0 112.394 -173.541 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.22 -51.67 55.4 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.491 1.041 . . . . 10.0 111.082 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.18 85.19 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.776 -0.577 . . . . 10.0 110.301 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.25 -51.07 67.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.086 0.954 . . . . 10.0 110.307 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -51.52 -53.08 41.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.369 0.531 . . . . 10.0 110.118 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.4 mt -53.66 -51.8 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 117.923 0.329 . . . . 10.0 111.254 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -49.53 -57.23 7.45 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.029 1.332 . . . . 10.0 109.183 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -56.7 -50.61 71.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.904 -0.569 . . . . 10.0 111.321 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.3 mt -49.78 -59.3 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 118.697 0.681 . . . . 10.0 109.786 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -52.9 -52.52 57.32 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.977 0.353 . . . . 10.0 110.679 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -55.53 -40.03 71.31 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 121.161 0.505 . . . . 10.0 110.168 178.099 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 114.546 1.313 . . . . 10.0 114.546 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -60.42 -46.07 91.33 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.856 0.463 . . . . 10.0 110.664 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -43.88 96.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.627 0.771 . . . . 10.0 109.15 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.26 -54.77 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.888 0.475 . . . . 10.0 109.775 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -65.48 -44.68 86.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.275 -0.266 . . . . 10.0 110.695 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -54.45 -53.34 55.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.179 0.592 . . . . 10.0 110.232 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.11 -51.47 69.18 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.576 0.351 . . . . 10.0 110.948 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.51 -49.95 74.67 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.398 0.679 . . . . 10.0 110.171 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.28 -43.6 98.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.554 1.142 . . . . 10.0 111.283 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.9 tp -46.07 -52.76 11.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.344 1.058 . . . . 10.0 112.159 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.67 -52.0 67.53 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 76.5 mtp -54.59 -43.94 72.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.637 0.775 . . . . 10.0 110.201 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -59.97 -14.99 18.56 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 10.0 112.849 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -53.03 -35.08 59.07 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.9 -1.125 . . . . 10.0 109.923 169.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.01 -28.56 69.66 Favored 'General case' 0 C--O 1.224 -0.263 0 O-C-N 121.635 -0.665 . . . . 10.0 111.764 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.457 -0.075 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 171.774 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 111.748 0.277 . . . . 10.0 111.748 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.02 -65.56 3.75 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -64.63 -25.48 67.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.777 0.431 . . . . 10.0 111.029 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -39.73 -47.24 2.01 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.852 1.661 . . . . 10.0 111.569 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.62 -37.06 11.85 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 126.517 1.927 . . . . 10.0 112.812 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -69.24 -26.91 65.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.957 0.903 . . . . 10.0 111.58 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.1 t -116.32 94.35 3.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.351 1.06 . . . . 10.0 108.897 -172.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 p -82.23 166.93 19.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.38 1.472 . . . . 10.0 110.983 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -45.65 -41.87 10.81 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.945 1.298 . . . . 10.0 112.356 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.25 -47.93 83.88 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.53 -0.731 . . . . 10.0 110.999 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -67.54 -40.61 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.829 -0.544 . . . . 10.0 109.534 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -53.57 -50.93 64.51 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.71 -0.619 . . . . 10.0 109.8 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.8 m -55.28 -49.24 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.927 1.291 . . . . 10.0 111.133 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -57.43 -50.57 72.6 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.289 0.635 . . . . 10.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -61.72 -45.77 92.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.207 0.603 . . . . 10.0 110.953 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.87 -50.63 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.26 0.624 . . . . 10.0 110.002 171.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.38 -48.13 74.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.857 -0.527 . . . . 10.0 109.919 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.58 -41.59 77.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.42 -0.8 . . . . 10.0 112.347 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.55 -54.61 38.95 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.681 1.128 . . . . 10.0 109.021 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -53.86 -51.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 CA-C-O 118.624 -0.703 . . . . 10.0 109.774 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.62 -47.7 84.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 119.153 0.888 . . . . 10.0 111.45 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.62 98.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.976 -0.453 . . . . 10.0 111.015 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.23 -42.26 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.127 0.571 . . . . 10.0 110.569 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -150.78 88.79 4.49 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 126.77 2.028 . . . . 10.0 109.967 -168.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -53.04 114.89 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.71 2.274 . . . . 10.0 110.346 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -85.74 127.09 64.07 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 123.591 0.756 . . . . 10.0 109.303 -169.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.43 -48.3 19.32 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 124.097 3.198 . . . . 10.0 114.039 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -156.89 143.14 13.08 Favored Pre-proline 0 N--CA 1.456 -0.167 0 CA-C-O 117.459 -1.258 . . . . 10.0 107.638 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -42.75 -44.16 8.86 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.224 2.616 . . . . 10.0 113.659 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.44 -33.54 54.49 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.643 -0.661 . . . . 10.0 112.236 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.62 -25.42 60.09 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.4 0.68 . . . . 10.0 111.765 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.65 -17.67 16.07 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.24 -20.31 66.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.851 0.75 . . . . 10.0 112.769 173.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -64.81 144.79 57.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.141 0.882 . . . . 10.0 110.327 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -41.02 71.81 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.704 -0.622 . . . . 10.0 112.368 -171.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.58 -44.5 90.48 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.381 -0.824 . . . . 10.0 109.006 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.2 tpt -56.37 -48.02 77.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.039 0.535 . . . . 10.0 110.172 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.07 -43.31 73.79 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.122 0.969 . . . . 10.0 110.983 174.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.04 -42.14 97.92 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.671 -0.643 . . . . 10.0 110.76 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -43.19 96.72 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.524 -0.735 . . . . 10.0 110.191 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.71 -49.35 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 122.977 0.511 . . . . 10.0 109.917 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.15 76.8 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.996 0.518 . . . . 10.0 110.672 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -52.67 -51.35 60.6 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.664 0.386 . . . . 10.0 110.239 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.35 84.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.564 0.346 . . . . 10.0 111.026 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -54.29 -53.5 52.97 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.041 0.536 . . . . 10.0 110.281 174.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.65 -54.12 45.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.343 0.657 . . . . 10.0 110.564 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -45.28 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 122.789 0.436 . . . . 10.0 110.47 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.82 -46.54 78.07 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.827 0.739 . . . . 10.0 110.862 173.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -51.7 43.31 Favored Glycine 0 CA--C 1.533 1.183 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -53.77 -48.29 69.88 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.97 -0.723 . . . . 10.0 110.744 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.5 mmt -59.75 -45.17 93.06 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.453 -0.308 . . . . 10.0 111.308 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -55.63 -46.12 77.47 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.15 0.58 . . . . 10.0 110.269 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.5 -40.99 89.53 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.544 0.737 . . . . 10.0 111.319 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -71.76 -46.53 58.1 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.271 0.558 . . . . 10.0 111.838 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 113.42 2.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.911 1.285 . . . . 10.0 113.985 -169.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -61.62 -30.87 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.815 0.846 . . . . 10.0 112.747 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 m -140.57 157.22 45.79 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.633 1.173 . . . . 10.0 109.868 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -55.58 -49.54 72.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.857 0.837 . . . . 10.0 110.736 175.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.31 -46.58 25.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.053 0.941 . . . . 10.0 110.993 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.55 -52.08 65.9 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -50.36 -48.42 55.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.477 1.111 . . . . 10.0 111.503 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -61.12 -53.02 62.24 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 121.626 -0.671 . . . . 10.0 110.947 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -52.11 -61.14 2.45 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.695 0.398 . . . . 10.0 111.777 -178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.351 0.3 OUTLIER -66.58 -27.34 67.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.745 -175.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.5 mt -65.56 -51.83 56.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.244 1.383 . . . . 10.0 110.639 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.69 -47.18 77.21 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.061 -0.399 . . . . 10.0 110.199 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.12 -43.38 95.66 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.029 0.532 . . . . 10.0 110.839 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -56.95 -51.98 67.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.462 -0.773 . . . . 10.0 110.014 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.77 -53.59 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.045 0.384 . . . . 10.0 110.162 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.14 -56.75 8.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.812 1.245 . . . . 10.0 109.593 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.15 -48.71 79.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.463 -0.78 . . . . 10.0 111.296 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.93 -55.59 13.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 119.218 0.917 . . . . 10.0 109.24 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.17 -54.68 27.76 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.83 -0.605 . . . . 10.0 110.324 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -51.44 -58.6 5.81 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.761 0.71 . . . . 10.0 111.656 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 124.774 1.23 . . . . 10.0 111.651 179.63 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -57.33 -47.4 81.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.988 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -44.13 95.25 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.62 -56.09 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.354 0.661 . . . . 10.0 109.584 173.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -66.28 -46.74 75.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.138 -0.351 . . . . 10.0 111.451 -173.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.38 -50.02 72.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.07 0.395 . . . . 10.0 110.017 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.4 tp -56.0 -51.89 66.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.975 0.91 . . . . 10.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.02 -54.92 41.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.471 0.653 . . . . 10.0 110.17 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.78 -43.28 80.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.891 1.276 . . . . 10.0 111.216 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.78 -52.44 40.8 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.695 0.798 . . . . 10.0 110.691 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.73 -51.7 61.0 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.9 mtt -49.42 -38.41 29.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.992 0.517 . . . . 10.0 112.306 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.7 m -66.46 -15.83 63.65 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 45.8 m -49.73 -47.85 50.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.597 1.09 . . . . 10.0 111.51 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.21 -39.72 79.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.172 0.442 . . . . 10.0 112.006 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 CA--C 1.528 0.113 0 O-C-N 122.014 -0.429 . . . . 10.0 109.984 176.25 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 121.049 0.452 . . . . 10.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.1 -66.12 1.87 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.718 -1.239 . . . . 10.0 110.666 -172.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -69.46 -19.54 63.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.603 1.161 . . . . 10.0 112.862 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -42.75 -42.86 3.71 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 125.893 1.677 . . . . 10.0 113.377 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.86 -32.07 5.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.93 1.292 . . . . 10.0 113.054 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -74.23 -28.93 61.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.038 0.535 . . . . 10.0 112.045 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.9 t -118.6 92.38 2.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 124.19 0.996 . . . . 10.0 110.775 -169.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -80.85 165.74 21.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.052 1.741 . . . . 10.0 111.526 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -48.86 -41.41 33.09 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.498 1.119 . . . . 10.0 112.144 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -58.76 4.55 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.25 1.02 . . . . 10.0 110.47 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -51.44 -49.76 61.08 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.666 0.666 . . . . 10.0 110.736 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 t -61.18 -46.83 88.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.821 0.848 . . . . 10.0 110.413 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -55.2 -48.83 73.27 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.07 -47.85 84.14 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 10.0 111.083 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.8 t -49.25 -50.42 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 119.064 0.847 . . . . 10.0 110.448 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -55.66 -49.6 72.49 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.661 -0.649 . . . . 10.0 110.478 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.73 -39.93 68.75 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.696 -0.668 . . . . 10.0 111.756 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -57.86 -53.08 62.31 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 119.509 1.05 . . . . 10.0 109.728 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.56 -51.2 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 119.093 -0.48 . . . . 10.0 109.741 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -57.46 -49.65 75.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.482 0.583 . . . . 10.0 111.908 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.23 99.26 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.478 0.711 . . . . 10.0 110.691 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.82 -49.28 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.292 0.637 . . . . 10.0 109.798 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -159.35 99.21 1.57 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.242 1.417 . . . . 10.0 110.276 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -56.03 128.95 32.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.439 2.759 . . . . 10.0 112.224 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.9 p -93.16 119.22 67.75 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-O 118.037 -0.982 . . . . 10.0 110.648 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.45 -37.08 61.03 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.412 2.741 . . . . 10.0 114.584 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -151.88 135.66 9.66 Favored Pre-proline 0 C--N 1.341 0.213 0 CA-C-O 117.788 -1.101 . . . . 10.0 109.361 -175.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -42.74 -45.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.793 2.995 . . . . 10.0 113.857 171.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.0 -34.31 55.72 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.575 -0.703 . . . . 10.0 112.054 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.35 51.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.267 0.627 . . . . 10.0 111.655 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.71 -25.89 20.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.274 0.63 . . . . 10.0 112.251 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.99 -20.37 65.02 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.52 138.89 57.96 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.89 0.768 . . . . 10.0 110.727 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -56.85 -30.08 63.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -80.24 -41.03 25.87 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.432 0.56 . . . . 10.0 110.496 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.8 mmm -59.78 -43.37 94.42 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.443 -0.786 . . . . 10.0 110.87 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -51.0 -36.9 41.76 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.844 0.458 . . . . 10.0 110.562 171.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.733 -0.604 . . . . 10.0 111.536 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.65 -47.18 84.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.43 -53.74 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.487 1.115 . . . . 10.0 109.19 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.49 -49.26 73.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.825 0.85 . . . . 10.0 110.851 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -54.62 -52.46 62.15 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 122.614 0.365 . . . . 10.0 110.414 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.92 87.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.619 0.768 . . . . 10.0 111.027 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.57 -54.4 46.4 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.458 0.572 . . . . 10.0 110.235 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -52.55 -55.39 22.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.808 0.843 . . . . 10.0 110.833 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -48.49 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.856 0.862 . . . . 10.0 110.45 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.25 -47.82 77.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.393 0.997 . . . . 10.0 110.736 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.12 -55.6 25.4 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -48.95 -51.1 32.26 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.866 0.867 . . . . 10.0 110.881 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.8 mmt -62.03 -44.79 95.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.777 -0.63 . . . . 10.0 111.204 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.37 -49.11 70.6 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.029 0.832 . . . . 10.0 110.023 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.97 -35.24 74.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -73.12 -38.7 66.22 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.627 -0.671 . . . . 10.0 112.18 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 108.93 3.44 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.549 1.139 . . . . 10.0 113.371 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -58.24 -36.9 73.89 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.187 0.595 . . . . 10.0 112.182 174.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.0 t -131.79 155.71 47.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.612 1.565 . . . . 10.0 110.156 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -50.47 -39.92 49.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.263 1.425 . . . . 10.0 109.707 169.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.35 -48.54 76.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.995 0.426 . . . . 10.0 110.045 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.51 -51.0 69.15 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -45.89 -53.36 9.95 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.152 0.981 . . . . 10.0 111.662 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.5 -54.3 48.19 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.772 -0.58 . . . . 10.0 111.198 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.19 -60.38 3.36 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.313 0.3 OUTLIER -68.08 -25.67 65.45 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.543 -0.741 . . . . 10.0 112.646 -175.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.94 -54.47 34.04 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 120.202 1.365 . . . . 10.0 110.017 170.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.76 -47.13 74.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.069 -0.395 . . . . 10.0 110.346 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.092 -0.48 . . . . 10.0 111.11 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.93 -48.58 73.6 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 10.0 110.421 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.5 mt -54.64 -54.55 21.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.43 0.633 . . . . 10.0 109.406 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.22 -55.32 15.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.252 1.421 . . . . 10.0 108.795 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -46.51 -61.59 1.75 Allowed 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 124.658 1.183 . . . . 10.0 110.964 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.4 mt -49.33 -63.44 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 119.532 1.06 . . . . 10.0 109.618 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -66.01 -25.09 66.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 119.641 -0.823 . . . . 10.0 112.458 -171.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -65.9 0.95 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.062 0.846 . . . . 10.0 110.871 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 C--N 1.332 -0.156 0 C-N-CA 125.891 1.676 . . . . 10.0 111.713 179.418 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 121.255 0.55 . . . . 10.0 111.67 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -58.02 -41.91 84.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.456 0.703 . . . . 10.0 111.215 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -52.14 62.82 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 14.4 mm -52.78 -57.4 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.798 0.839 . . . . 10.0 109.775 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -65.69 -47.54 75.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.015 -0.517 . . . . 10.0 111.311 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.08 -45.72 86.67 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.014 0.824 . . . . 10.0 110.373 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.91 -50.21 73.23 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.261 0.482 . . . . 10.0 110.793 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.06 -51.09 69.1 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.506 0.67 . . . . 10.0 110.334 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.92 -30.96 69.53 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.92 1.288 . . . . 10.0 112.627 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 60.9 tp -46.48 -45.55 18.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.37 1.068 . . . . 10.0 110.909 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.39 -52.83 14.29 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.745 0.418 . . . . 10.0 109.974 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.8 mmt -47.34 -41.49 19.51 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.586 0.754 . . . . 10.0 111.43 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.9 m -57.9 -24.95 60.05 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 41.1 m -42.09 -44.14 3.51 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.487 1.04 . . . . 10.0 113.186 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -55.76 -34.52 65.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 -175.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 118.616 0.644 . . . . 10.0 110.973 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 106.58 -1.637 . . . . 10.0 106.58 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.34 -53.91 11.13 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.771 1.169 . . . . 10.0 111.662 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -62.27 -15.58 48.29 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.659 1.184 . . . . 10.0 113.711 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -59.35 -25.23 64.05 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.203 -0.936 . . . . 10.0 111.115 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -47.22 -36.19 8.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.601 1.16 . . . . 10.0 111.119 169.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -99.28 -51.02 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.738 1.215 . . . . 10.0 110.559 -177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -79.4 90.89 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.228 0.537 . . . . 10.0 111.104 -175.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -71.14 160.44 32.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.522 1.153 . . . . 10.0 112.971 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -52.14 -39.84 60.54 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.705 -1.134 . . . . 10.0 112.247 174.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -56.08 -48.22 76.53 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.576 0.75 . . . . 10.0 111.517 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.95 -49.26 78.16 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.626 -0.671 . . . . 10.0 109.608 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -51.74 -46.8 64.15 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -58.42 -48.77 79.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.605 1.162 . . . . 10.0 111.374 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -63.25 -39.03 93.44 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.675 -0.64 . . . . 10.0 110.4 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.12 -46.34 89.48 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.047 -1.033 . . . . 10.0 110.865 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -50.99 -51.63 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 121.312 -0.868 . . . . 10.0 110.212 169.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.83 -47.32 64.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.693 -0.67 . . . . 10.0 111.353 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -57.76 -46.66 84.22 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.447 0.699 . . . . 10.0 111.341 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -51.24 -52.53 43.86 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -55.06 -53.03 38.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.885 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -54.1 -50.2 67.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.695 1.134 . . . . 10.0 111.856 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -36.67 84.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.978 0.511 . . . . 10.0 111.499 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.2 mt -74.35 -53.09 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 121.322 0.582 . . . . 10.0 109.693 173.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -137.36 103.18 8.73 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 128.038 2.535 . . . . 10.0 109.878 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.4 107.12 1.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.514 2.143 . . . . 10.0 109.793 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 m -74.49 133.46 77.22 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 -173.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -65.88 -40.64 16.07 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.421 2.081 . . . . 10.0 112.124 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -151.09 140.55 13.84 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 117.417 -1.278 . . . . 10.0 108.059 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -41.59 -45.5 6.3 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.59 2.86 . . . . 10.0 113.979 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.54 62.78 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.608 -0.683 . . . . 10.0 112.004 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -21.74 60.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.527 0.731 . . . . 10.0 112.063 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.44 -26.87 44.53 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.82 0.736 . . . . 10.0 111.76 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -15.68 63.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.32 133.09 54.62 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.363 -0.836 . . . . 10.0 110.09 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -54.15 -24.82 19.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.153 0.981 . . . . 10.0 113.532 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -71.2 -48.91 48.64 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.557 0.617 . . . . 10.0 110.235 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.99 -39.08 87.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.656 0.782 . . . . 10.0 110.822 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -40.26 -39.95 1.04 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.581 1.552 . . . . 10.0 112.348 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -64.11 -50.82 66.78 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.634 0.774 . . . . 10.0 111.326 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.56 -42.63 99.67 Favored 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.12 -52.75 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.069 0.547 . . . . 10.0 109.891 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.69 71.0 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.241 0.616 . . . . 10.0 110.994 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.56 -52.32 62.47 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.384 -0.197 . . . . 10.0 110.546 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.37 80.7 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.578 0.751 . . . . 10.0 111.233 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.14 -53.64 54.7 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.002 0.521 . . . . 10.0 110.722 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -53.79 -55.31 27.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.414 0.686 . . . . 10.0 110.383 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -44.47 98.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.255 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.73 -45.91 77.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.388 -0.82 . . . . 10.0 110.826 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -54.37 28.35 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.089 -0.805 . . . . 10.0 111.089 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.09 -49.79 59.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.027 0.531 . . . . 10.0 111.121 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -61.16 -42.37 98.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.281 -0.39 . . . . 10.0 111.349 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.73 -49.68 75.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.471 0.578 . . . . 10.0 110.29 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.99 -41.79 99.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 111.589 0.218 . . . . 10.0 111.589 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 m -63.08 -43.19 99.21 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.655 0.74 . . . . 10.0 111.845 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 107.14 2.38 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.383 1.087 . . . . 10.0 112.73 -169.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.812 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -149.6 164.19 35.82 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.879 0.871 . . . . 10.0 110.733 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -55.37 -48.81 73.72 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.902 1.681 . . . . 10.0 110.816 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -49.46 -53.56 22.4 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.038 0.535 . . . . 10.0 110.843 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -55.83 -51.5 67.29 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 123.059 0.543 . . . . 10.0 110.157 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -49.46 -52.16 30.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.536 0.607 . . . . 10.0 112.343 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -58.02 -51.81 68.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.995 -0.44 . . . . 10.0 110.616 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -54.47 -60.87 2.76 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -66.07 -30.64 71.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.279 0.945 . . . . 10.0 112.971 -175.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.92 -52.69 47.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.836 1.198 . . . . 10.0 110.923 171.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.06 71.79 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.78 -45.69 91.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.664 0.786 . . . . 10.0 110.72 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -55.26 -54.29 45.28 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.817 0.735 . . . . 10.0 110.248 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' B' ' 95' ' ' LEU . 35.9 mt -50.4 -53.94 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.402 0.62 . . . . 10.0 110.453 174.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.28 -51.49 64.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.694 1.198 . . . . 10.0 110.61 -175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -56.02 -51.16 68.76 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.494 0.718 . . . . 10.0 111.394 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.75 -52.33 17.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -62.39 -46.01 90.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.52 1.054 . . . . 10.0 112.138 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -56.37 -41.32 76.01 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.755 -1.215 . . . . 10.0 111.563 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 123.342 0.657 . . . . 10.0 111.571 177.866 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 116.193 1.923 . . . . 10.0 116.193 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -52.39 -54.23 34.68 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.522 0.729 . . . . 10.0 110.531 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -47.85 83.71 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.89 -44.23 48.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 122.987 0.515 . . . . 10.0 110.871 -175.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -72.23 -48.51 42.3 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.852 -0.53 . . . . 10.0 112.056 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.5 -45.45 81.02 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.496 0.589 . . . . 10.0 111.5 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 72' ' ' ILE . 52.1 tp -47.44 -58.0 4.69 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.534 2.334 . . . . 10.0 110.5 172.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.91 -54.71 43.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.024 0.53 . . . . 10.0 110.321 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.38 -44.42 76.08 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.599 1.16 . . . . 10.0 111.402 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.31 -52.45 65.3 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.922 0.889 . . . . 10.0 110.027 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.17 -50.32 74.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 22.0 mmt -50.34 -42.97 53.86 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.264 0.484 . . . . 10.0 111.88 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 69.3 m -65.16 -36.35 83.96 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -174.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -19.74 -63.23 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -169.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.68 -38.02 31.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.733 1.151 . . . . 10.0 113.627 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.843 -0.535 . . . . 10.0 110.346 178.042 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 106.444 -1.687 . . . . 10.0 106.444 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.3 -46.72 28.27 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 118.735 0.698 . . . . 10.0 111.925 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -60.93 -12.56 11.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -57.35 -30.01 64.48 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.069 0.849 . . . . 10.0 111.401 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.93 -35.84 6.96 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.356 1.062 . . . . 10.0 111.402 170.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -100.37 -39.48 7.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.876 1.27 . . . . 10.0 111.081 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -91.31 89.9 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.554 0.692 . . . . 10.0 110.011 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -71.95 160.29 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.885 0.85 . . . . 10.0 111.395 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -51.66 -39.08 57.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.738 0.815 . . . . 10.0 111.341 174.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.04 -56.77 9.46 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.28 1.032 . . . . 10.0 110.432 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.25 -45.54 94.11 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -53.88 -49.95 67.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.548 0.613 . . . . 10.0 111.004 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 t -60.99 -45.4 94.98 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.989 0.915 . . . . 10.0 110.247 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -57.52 -50.26 73.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.68 -44.98 82.0 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.098 0.559 . . . . 10.0 111.078 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.8 t -50.49 -51.27 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 119.436 1.016 . . . . 10.0 110.761 170.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.21 -50.31 69.74 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.464 -0.772 . . . . 10.0 110.483 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -51.59 -44.19 62.74 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 118.658 -0.687 . . . . 10.0 111.133 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.3 mt -53.14 -56.67 14.54 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.993 0.815 . . . . 10.0 109.155 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -53.63 -59.83 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-O 118.528 -0.749 . . . . 10.0 110.459 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.59 -37.42 86.15 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.535 1.061 . . . . 10.0 112.507 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.14 86.86 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.304 -0.873 . . . . 10.0 110.589 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.5 mt -68.66 -47.1 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.95 0.5 . . . . 10.0 110.304 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -146.72 91.75 5.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 127.175 2.19 . . . . 10.0 108.788 -169.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.68 119.98 4.22 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.7 2.933 . . . . 10.0 112.95 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.2 p -72.68 121.12 84.12 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-O 117.712 -1.137 . . . . 10.0 110.047 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.12 -45.3 42.0 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.719 2.279 . . . . 10.0 112.783 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -165.63 148.47 6.71 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.466 -1.254 . . . . 10.0 107.741 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.52 -43.79 17.57 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.862 2.375 . . . . 10.0 113.179 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.11 37.02 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.668 -0.645 . . . . 10.0 112.684 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.53 -25.02 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.795 -0.566 . . . . 10.0 111.762 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.1 mt -54.46 -31.53 55.8 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -170.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.28 -20.38 65.63 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.86 131.92 36.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 118.688 0.676 . . . . 10.0 109.606 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -53.41 -47.67 69.37 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.684 0.674 . . . . 10.0 112.677 -172.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.1 -49.64 76.86 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.628 -0.67 . . . . 10.0 109.611 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.7 ttm -58.69 -46.43 87.27 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.838 -0.165 . . . . 10.0 110.626 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.83 -46.99 68.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.551 1.54 . . . . 10.0 110.472 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -61.12 -42.83 99.24 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.897 -0.502 . . . . 10.0 110.516 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -64.81 -39.32 93.4 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.713 -0.617 . . . . 10.0 110.977 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.49 -50.83 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 124.764 1.226 . . . . 10.0 109.053 172.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.62 76.64 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.02 -0.425 . . . . 10.0 110.716 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.66 -53.38 52.77 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 122.763 0.425 . . . . 10.0 110.135 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.38 77.84 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.339 0.656 . . . . 10.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -56.98 -52.82 63.72 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.193 0.451 . . . . 10.0 110.471 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -54.48 -53.68 51.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.391 0.676 . . . . 10.0 110.476 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.53 -51.3 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.977 0.911 . . . . 10.0 110.16 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -53.58 -46.99 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.294 0.952 . . . . 10.0 110.476 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.42 -58.59 10.64 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.624 -0.99 . . . . 10.0 110.624 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.99 -51.52 41.02 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.387 0.675 . . . . 10.0 111.102 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 mmt -57.59 -43.37 84.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.962 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.71 -52.72 64.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 117.907 0.321 . . . . 10.0 110.406 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.17 -40.99 95.98 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.109 -0.369 . . . . 10.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -63.95 -49.02 74.2 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.136 0.574 . . . . 10.0 111.497 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 111.83 3.78 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 122.042 0.925 . . . . 10.0 112.969 -169.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -55.61 -32.8 63.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.523 0.729 . . . . 10.0 112.512 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -155.05 154.4 32.41 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.502 -0.749 . . . . 10.0 110.561 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -48.63 -45.35 38.27 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.438 1.495 . . . . 10.0 112.535 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.29 -49.32 64.39 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.594 0.757 . . . . 10.0 111.318 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.47 -48.24 78.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -50.95 -52.49 41.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.249 0.62 . . . . 10.0 111.918 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.01 -51.17 70.31 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.8 -0.562 . . . . 10.0 110.324 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -53.74 -63.13 1.25 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.507 0.558 . . . . 10.0 112.507 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -65.08 -29.19 70.04 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.83 0.741 . . . . 10.0 112.588 -174.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.09 -54.69 30.11 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.567 1.076 . . . . 10.0 110.488 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.9 -46.39 71.41 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.05 -47.6 80.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.138 0.575 . . . . 10.0 110.842 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -58.84 -47.72 83.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.559 -0.713 . . . . 10.0 110.529 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.438 ' CG2' HD11 ' B' ' 95' ' ' LEU . 87.3 mt -53.13 -53.96 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -52.66 29.26 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.209 1.403 . . . . 10.0 109.42 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -56.31 -58.65 7.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 117.951 -1.024 . . . . 10.0 111.853 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.71 -56.93 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 119.636 1.107 . . . . 10.0 109.188 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.09 -56.48 14.15 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 118.449 -0.786 . . . . 10.0 111.474 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -56.43 -56.88 15.69 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.184 1.356 . . . . 10.0 112.354 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 125.204 1.402 . . . . 10.0 109.548 -178.895 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 115.616 1.71 . . . . 10.0 115.616 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -56.58 -47.32 79.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.814 0.446 . . . . 10.0 110.884 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -43.46 98.79 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -58.81 -56.52 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 121.349 0.595 . . . . 10.0 109.573 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -67.27 -44.79 78.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.223 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -56.15 -47.68 77.73 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.438 HD11 ' CG2' ' A' ' 72' ' ' ILE . 46.3 tp -57.73 -49.58 76.07 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.899 0.318 . . . . 10.0 111.2 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.1 -57.95 10.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.522 0.677 . . . . 10.0 110.208 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.4 tp -53.37 -44.98 69.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.047 1.339 . . . . 10.0 110.952 -173.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -47.85 -54.99 10.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.532 1.133 . . . . 10.0 110.14 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.78 -52.18 40.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.3 mmt -45.39 -40.45 8.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.016 0.526 . . . . 10.0 112.356 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -65.14 -24.66 67.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.097 1.147 . . . . 10.0 114.097 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.8 m -36.24 -59.33 0.63 Allowed 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 115.588 1.699 . . . . 10.0 115.588 -168.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -46.96 -41.16 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.69 1.586 . . . . 10.0 113.63 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 . . . . . 0 C--N 1.332 -0.17 0 C-N-CA 123.574 0.75 . . . . 10.0 109.292 179.764 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.22 10.64 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.34 0.495 . . . . 10.0 113.013 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -71.69 -28.26 63.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -52.43 -45.58 66.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.668 0.667 . . . . 10.0 110.288 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -35.66 -39.66 0.15 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 127.402 2.281 . . . . 10.0 113.29 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -92.24 -14.05 29.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.107 0.963 . . . . 10.0 112.443 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.71 107.78 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.866 0.866 . . . . 10.0 109.704 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -74.47 160.16 31.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.766 0.793 . . . . 10.0 112.604 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -54.31 -44.99 72.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.738 1.215 . . . . 10.0 110.511 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -60.65 -46.07 91.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.723 -0.611 . . . . 10.0 111.604 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.72 -48.28 81.72 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.198 0.908 . . . . 10.0 110.037 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -51.68 -48.7 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.388 0.275 . . . . 10.0 110.369 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -58.32 -46.95 85.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.393 0.677 . . . . 10.0 111.283 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -65.25 -43.71 90.49 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.766 -0.584 . . . . 10.0 110.546 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.85 -47.3 85.34 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.797 -0.565 . . . . 10.0 110.67 174.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 t -52.66 -44.8 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.8 0.84 . . . . 10.0 110.283 171.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.83 -48.85 78.56 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.151 -0.968 . . . . 10.0 110.468 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -51.39 -42.83 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.058 0.845 . . . . 10.0 111.218 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.11 -51.09 71.16 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.62 0.646 . . . . 10.0 111.233 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.9 t -53.29 -47.38 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.852 -0.594 . . . . 10.0 110.134 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.15 -47.93 77.27 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.066 0.848 . . . . 10.0 111.141 175.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.36 85.23 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.921 -0.487 . . . . 10.0 111.714 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.1 mt -70.31 -40.81 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.877 0.471 . . . . 10.0 110.352 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -162.19 95.15 1.24 Allowed Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 125.03 1.332 . . . . 10.0 109.37 -169.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.91 96.57 0.04 OUTLIER 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.343 3.362 . . . . 10.0 112.819 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.2 m -87.6 135.88 33.63 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 124.125 0.97 . . . . 10.0 108.503 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.47 -49.22 6.13 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.023 2.482 . . . . 10.0 113.93 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.31 141.65 21.75 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-O 117.649 -1.167 . . . . 10.0 108.72 -170.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -40.9 -46.79 4.93 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.529 2.82 . . . . 10.0 113.9 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.79 -38.43 61.13 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.665 -0.647 . . . . 10.0 111.823 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.81 -17.18 62.84 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.034 0.534 . . . . 10.0 111.959 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.87 -27.17 67.93 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.953 0.797 . . . . 10.0 111.187 171.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.4 49.37 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.516 0.726 . . . . 10.0 111.272 -173.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.4 147.17 51.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.103 1.361 . . . . 10.0 110.784 -171.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -47.7 63.7 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.564 1.546 . . . . 10.0 111.964 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -65.52 -57.84 7.25 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 108.499 -0.926 . . . . 10.0 108.499 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.4 mmm -51.42 -39.03 56.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.685 0.794 . . . . 10.0 112.812 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -39.46 -42.86 1.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.688 1.195 . . . . 10.0 111.909 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -66.04 -47.22 75.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 123.341 0.656 . . . . 10.0 110.677 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.46 -45.53 90.4 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -52.95 -53.06 23.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 123.539 0.735 . . . . 10.0 109.363 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -52.03 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.432 0.693 . . . . 10.0 110.966 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.7 -49.93 66.98 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.921 0.328 . . . . 10.0 110.621 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.02 91.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.593 0.357 . . . . 10.0 110.954 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.69 -50.24 73.86 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.143 -0.348 . . . . 10.0 110.502 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.02 -55.74 27.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.458 0.703 . . . . 10.0 110.746 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -47.18 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.81 -34.89 75.22 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.241 -0.912 . . . . 10.0 111.498 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.17 -55.39 26.55 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.078 -1.209 . . . . 10.0 110.078 170.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -51.21 -47.59 62.26 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.097 0.449 . . . . 10.0 110.814 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 mmt -58.61 -43.82 89.73 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 111.769 0.285 . . . . 10.0 111.769 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -62.75 -39.21 93.41 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.458 1.103 . . . . 10.0 110.455 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.6 -46.09 70.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.372 0.669 . . . . 10.0 111.25 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -69.51 -53.26 19.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.821 0.849 . . . . 10.0 111.783 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 123.94 18.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.67 0.788 . . . . 10.0 110.721 -175.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -106.08 23.57 13.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.039 0.536 . . . . 10.0 110.939 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.1 p -161.62 157.82 25.21 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 169.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -64.31 -47.41 79.54 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.255 0.55 . . . . 10.0 109.956 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.3 -45.75 65.68 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.342 0.657 . . . . 10.0 111.192 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.5 -48.72 80.55 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.143 0.883 . . . . 10.0 110.075 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -52.86 -48.66 66.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.643 0.377 . . . . 10.0 111.349 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -58.33 -51.64 68.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.965 -0.459 . . . . 10.0 111.011 172.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -53.83 -60.63 3.07 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.668 0.387 . . . . 10.0 111.791 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -67.17 -31.28 71.6 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.774 0.715 . . . . 10.0 112.875 -175.622 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -65.75 -50.42 64.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.96 1.255 . . . . 10.0 110.677 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.56 75.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.787 0.435 . . . . 10.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.34 -43.4 96.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.104 0.561 . . . . 10.0 110.677 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.66 -47.74 83.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.769 -0.582 . . . . 10.0 110.167 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' B' ' 95' ' ' LEU . 23.5 mt -55.21 -51.59 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 121.741 -0.599 . . . . 10.0 110.73 173.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -51.99 53.32 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.652 1.181 . . . . 10.0 108.819 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -55.32 -59.47 4.75 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.308 1.043 . . . . 10.0 111.328 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.8 mt -43.97 -61.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 123.884 0.874 . . . . 10.0 109.692 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.03 -53.57 54.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.414 -0.327 . . . . 10.0 111.22 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -55.22 -54.6 41.32 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 118.855 0.752 . . . . 10.0 112.536 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.45 -0.469 0 C-N-CA 124.081 0.952 . . . . 10.0 109.669 178.355 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -54.02 -51.44 64.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.807 0.843 . . . . 10.0 111.195 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -29.45 61.64 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 119.201 -0.428 . . . . 10.0 110.77 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.15 -57.25 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.17 -45.83 75.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.897 -170.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.55 -49.97 69.05 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.216 0.462 . . . . 10.0 110.136 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.412 HD11 ' CG2' ' A' ' 72' ' ' ILE . 58.5 tp -57.49 -53.78 54.31 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.453 0.301 . . . . 10.0 111.104 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.98 -53.17 61.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.405 0.682 . . . . 10.0 110.103 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.6 -43.77 89.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.941 1.297 . . . . 10.0 111.128 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.42 -50.77 59.06 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.019 0.528 . . . . 10.0 110.538 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.12 -53.39 54.24 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mtt -50.85 -36.87 39.87 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 122.791 0.436 . . . . 10.0 111.93 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.7 m -72.47 -9.82 59.01 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.385 1.254 . . . . 10.0 114.385 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -48.54 -51.83 25.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.57 1.532 . . . . 10.0 113.868 -169.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.04 -36.24 67.8 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 120.756 -1.215 . . . . 10.0 112.48 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 177.899 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 tptp . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.491 0.186 . . . . 10.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.56 -66.0 2.04 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.742 -1.343 . . . . 10.0 109.742 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -70.61 -9.74 57.65 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.235 1.014 . . . . 10.0 113.469 -177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -57.71 -37.05 72.84 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.7 1.2 . . . . 10.0 109.895 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -29.93 -46.28 0.06 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 128.785 2.834 . . . . 10.0 114.909 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -112.94 18.79 17.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.626 0.77 . . . . 10.0 112.862 -173.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.11 95.75 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.937 0.895 . . . . 10.0 109.325 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -86.69 164.24 16.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.538 1.135 . . . . 10.0 111.63 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -49.61 -45.22 47.87 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 123.798 0.839 . . . . 10.0 111.413 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.76 -46.8 71.04 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.222 0.464 . . . . 10.0 111.122 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.89 -48.77 77.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -53.39 -50.28 65.47 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 10.0 110.316 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.6 m -54.1 -49.79 68.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.512 1.525 . . . . 10.0 110.553 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.553 ' CD2' HG23 ' B' ' 102' ' ' THR . 5.2 t60 -60.56 -52.38 65.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -52.99 -48.99 67.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.368 0.667 . . . . 10.0 110.423 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.06 -50.38 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.633 -0.667 . . . . 10.0 110.905 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . 0.303 0.5 OUTLIER -64.68 -26.69 68.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 120.179 1.354 . . . . 10.0 113.423 176.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -62.52 -45.47 92.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 119.425 1.012 . . . . 10.0 109.179 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.57 -54.24 48.22 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.933 -0.479 . . . . 10.0 110.6 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.99 -54.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.276 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.75 -35.24 79.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.128 0.876 . . . . 10.0 111.986 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.25 86.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.321 0.509 . . . . 10.0 111.405 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.75 -60.38 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.524 0.678 . . . . 10.0 109.277 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.12 98.83 20.52 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 127.435 2.294 . . . . 10.0 108.283 -169.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.72 85.01 0.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.939 2.426 . . . . 10.0 110.034 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 m -67.88 124.63 89.93 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 124.988 1.315 . . . . 10.0 111.422 -169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.67 -51.09 11.92 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 125.022 3.815 . . . . 10.0 116.207 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.89 142.94 17.1 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 117.801 -1.095 . . . . 10.0 110.685 -169.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.06 -43.91 9.59 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.72 2.946 . . . . 10.0 114.013 170.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -34.49 58.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.614 -0.679 . . . . 10.0 111.946 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -26.3 61.13 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.105 0.562 . . . . 10.0 111.48 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.62 -17.74 35.87 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.05 -22.89 67.04 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.68 0.673 . . . . 10.0 112.241 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.64 135.99 57.17 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.047 0.84 . . . . 10.0 110.927 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -50.96 69.55 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.645 0.778 . . . . 10.0 112.659 -177.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.7 -45.32 94.66 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.819 -0.551 . . . . 10.0 109.545 -178.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 40.6 tpp -59.2 -44.47 92.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.278 -0.264 . . . . 10.0 110.671 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.62 -39.97 78.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.147 0.885 . . . . 10.0 110.491 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -41.56 96.86 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.725 -0.609 . . . . 10.0 110.855 173.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.01 -43.09 88.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.829 0.452 . . . . 10.0 110.319 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -55.03 -50.22 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 124.11 0.964 . . . . 10.0 109.075 171.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.24 78.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.085 0.402 . . . . 10.0 111.051 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.19 -49.64 68.9 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.014 -0.429 . . . . 10.0 110.819 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.44 96.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.057 -0.402 . . . . 10.0 110.933 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -55.8 -50.91 69.22 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.005 -0.435 . . . . 10.0 110.04 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -54.05 -55.18 29.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.183 0.593 . . . . 10.0 110.438 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -44.01 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 119.115 -0.469 . . . . 10.0 110.995 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.3 -47.04 69.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.32 0.964 . . . . 10.0 110.701 171.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.74 -52.64 40.97 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.43 -0.668 . . . . 10.0 111.43 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -51.87 -49.62 62.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.308 0.643 . . . . 10.0 110.456 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 mmt -59.93 -46.76 88.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.27 -0.395 . . . . 10.0 111.297 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -53.33 -51.56 62.01 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.055 0.542 . . . . 10.0 110.229 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -61.56 -43.63 98.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.216 0.606 . . . . 10.0 111.072 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 m -64.97 -41.65 95.26 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.283 0.563 . . . . 10.0 112.152 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 99.63 6.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.165 0.986 . . . . 10.0 112.891 -169.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 47.73 0.84 Allowed 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.449 -1.407 . . . . 10.0 110.91 170.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t 173.34 145.85 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.665 1.986 . . . . 10.0 108.8 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.79 -39.85 93.14 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.013 0.525 . . . . 10.0 110.541 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.0 -44.19 97.78 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.61 -50.32 73.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -50.22 -50.08 50.79 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.914 0.886 . . . . 10.0 111.049 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.44 -54.18 48.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.043 -0.411 . . . . 10.0 110.851 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -54.52 -60.39 3.42 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -176.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.345 0.4 OUTLIER -66.45 -30.77 71.2 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.389 -0.819 . . . . 10.0 112.769 -176.036 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.34 -46.89 75.26 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.796 1.18 . . . . 10.0 110.765 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.19 81.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.856 -0.528 . . . . 10.0 109.971 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -57.88 -49.59 76.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.444 0.697 . . . . 10.0 110.448 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -53.22 -50.79 63.99 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.425 ' CD1' HD23 ' B' ' 99' ' ' LEU . 23.5 mt -55.19 -46.91 77.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.003 0.521 . . . . 10.0 111.669 174.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.59 -57.7 10.39 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.767 0.827 . . . . 10.0 109.058 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -53.51 -52.91 58.08 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.973 -0.537 . . . . 10.0 111.207 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.0 mt -47.79 -63.37 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -53.1 -44.44 67.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.992 -0.528 . . . . 10.0 111.054 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -56.97 12.75 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.112 0.869 . . . . 10.0 111.64 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 123.686 0.794 . . . . 10.0 111.22 179.076 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 115.301 1.593 . . . . 10.0 115.301 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -54.35 -50.85 66.49 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.833 0.853 . . . . 10.0 112.072 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -42.62 97.77 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.749 0.82 . . . . 10.0 109.507 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.77 -54.29 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.58 -50.14 68.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.124 -0.36 . . . . 10.0 110.425 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -54.05 -47.04 72.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.492 0.317 . . . . 10.0 110.422 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.52 -51.16 71.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.448 0.567 . . . . 10.0 111.031 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.06 -50.2 67.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.244 0.545 . . . . 10.0 109.891 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.03 -40.13 92.44 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.722 1.209 . . . . 10.0 111.974 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.08 -44.43 64.36 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.221 1.008 . . . . 10.0 111.845 -172.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 72' ' ' ILE . 1.6 tm? -66.53 -48.32 70.1 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 121.813 -0.554 . . . . 10.0 110.122 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 42.9 mtt -53.48 -43.98 68.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.497 0.665 . . . . 10.0 109.881 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -60.41 -8.71 2.86 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.11 1.364 . . . . 10.0 113.972 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . 0.553 HG23 ' CD2' ' A' ' 17' ' ' HIS . 71.9 m -49.41 -47.79 47.67 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 121.539 1.972 . . . . 10.0 111.958 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.96 -37.17 78.8 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.525 -0.735 . . . . 10.0 111.167 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.9 t30 . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 123.054 0.542 . . . . 10.0 110.45 173.289 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 111.734 0.272 . . . . 10.0 111.734 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.96 -61.92 3.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.065 -1.214 . . . . 10.0 110.065 -170.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -65.91 -31.49 72.45 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.382 0.673 . . . . 10.0 111.841 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -38.61 -55.19 1.47 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.315 1.846 . . . . 10.0 112.574 -172.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.94 -25.17 68.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.797 1.239 . . . . 10.0 112.873 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.45 -19.4 62.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.887 0.475 . . . . 10.0 110.725 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.0 t -102.48 102.93 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -67.68 161.33 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.315 0.646 . . . . 10.0 111.848 -174.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -53.34 -43.32 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.489 170.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.97 -45.66 91.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.231 -0.414 . . . . 10.0 110.655 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.16 -45.45 93.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.01 0.823 . . . . 10.0 111.021 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -53.44 -49.36 67.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.499 -0.75 . . . . 10.0 109.706 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -56.44 -48.11 77.69 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.035 0.934 . . . . 10.0 111.545 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.13 -44.41 94.94 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.347 1.059 . . . . 10.0 109.914 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.93 -47.44 80.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.739 -0.601 . . . . 10.0 110.428 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -49.84 -51.34 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 118.906 0.776 . . . . 10.0 110.404 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -53.07 -52.21 59.29 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.765 -0.585 . . . . 10.0 110.628 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -52.97 -42.1 65.19 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.754 0.707 . . . . 10.0 112.055 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.44 -52.19 66.37 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.44 1.018 . . . . 10.0 109.561 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.6 t -53.88 -50.86 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.727 -0.654 . . . . 10.0 110.025 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -58.48 -47.16 84.97 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.734 0.697 . . . . 10.0 112.002 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.52 98.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.573 0.749 . . . . 10.0 110.408 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.24 -62.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.619 -0.882 . . . . 10.0 108.619 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -130.55 98.88 19.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 127.256 2.222 . . . . 10.0 109.868 -169.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.23 107.34 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 121.678 1.585 . . . . 10.0 109.945 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -68.32 137.84 91.54 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-O 118.911 -0.566 . . . . 10.0 110.273 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.68 -38.81 37.53 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.21 2.606 . . . . 10.0 112.764 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -151.06 138.06 11.78 Favored Pre-proline 0 N--CA 1.452 -0.345 0 N-CA-C 107.442 -1.318 . . . . 10.0 107.442 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -45.69 -39.75 18.37 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.244 2.629 . . . . 10.0 112.963 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.92 18.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.421 0.688 . . . . 10.0 112.736 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.48 -13.36 62.09 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.784 0.833 . . . . 10.0 112.579 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.6 mt -54.93 -37.48 66.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.123 0.874 . . . . 10.0 112.083 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -78.92 56.52 1.96 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.737 -0.602 . . . . 10.0 111.571 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -126.89 145.45 50.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.174 1.39 . . . . 10.0 110.095 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -50.45 -42.53 54.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.009 1.324 . . . . 10.0 112.173 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.64 -56.54 6.22 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.5 mmm -51.44 -38.31 53.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.373 1.069 . . . . 10.0 112.713 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -43.64 -36.36 2.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.182 0.993 . . . . 10.0 112.733 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.36 -48.74 71.91 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.864 -0.523 . . . . 10.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.49 -43.86 96.04 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -54.8 -52.57 41.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.337 0.655 . . . . 10.0 109.69 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.9 -50.94 69.3 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.255 0.622 . . . . 10.0 110.897 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -54.4 -51.7 64.06 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 122.632 0.373 . . . . 10.0 110.488 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.55 82.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.219 0.608 . . . . 10.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.51 -53.24 59.79 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.309 0.504 . . . . 10.0 110.319 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -52.31 -55.06 23.95 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.37 0.668 . . . . 10.0 110.943 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.88 -46.57 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 122.916 0.487 . . . . 10.0 110.664 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.37 -47.57 81.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 119.152 0.887 . . . . 10.0 110.247 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.59 -55.8 20.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.565 -1.014 . . . . 10.0 110.565 174.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -49.99 -51.5 41.18 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.415 0.686 . . . . 10.0 110.997 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.7 mmt -61.83 -42.61 99.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.055 -0.497 . . . . 10.0 111.387 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -56.26 -48.76 75.92 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.693 0.678 . . . . 10.0 110.14 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -64.11 -35.48 80.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.363 0.665 . . . . 10.0 112.404 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.8 m -78.43 -46.74 19.05 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 117.17 4.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.181 1.392 . . . . 10.0 114.279 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 p30 -72.88 -8.26 54.77 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.508 1.123 . . . . 10.0 113.367 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -158.4 152.62 24.12 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.967 -1.124 . . . . 10.0 107.967 -174.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.1 -40.75 74.15 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.426 0.69 . . . . 10.0 110.09 170.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.58 -47.89 80.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.379 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -58.77 -52.6 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 176.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -47.08 -52.11 16.03 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.737 1.215 . . . . 10.0 111.551 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.93 -54.27 48.12 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.786 -0.571 . . . . 10.0 111.264 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -52.12 -62.66 1.5 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.253 0.621 . . . . 10.0 112.155 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.323 0.4 OUTLIER -65.68 -28.49 69.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.508 -0.758 . . . . 10.0 112.625 -175.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.36 -56.01 19.8 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 120.024 1.284 . . . . 10.0 110.183 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.8 70.44 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.291 -0.256 . . . . 10.0 110.584 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.08 -46.14 85.96 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.165 0.586 . . . . 10.0 110.949 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.94 -51.22 70.03 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.579 -0.701 . . . . 10.0 110.28 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.37 -54.39 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -50.05 -55.07 16.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 10.0 109.572 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -57.5 -52.11 66.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.258 0.623 . . . . 10.0 111.826 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.5 mt -50.0 -52.87 12.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -56.31 -58.5 7.71 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.505 0.593 . . . . 10.0 111.337 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -48.51 -49.48 35.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.733 0.813 . . . . 10.0 112.31 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 123.87 0.868 . . . . 10.0 111.32 -174.514 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 121.288 0.566 . . . . 10.0 110.55 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -47.81 -52.73 17.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.922 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -53.87 -56.58 16.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.51 1.524 . . . . 10.0 108.202 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -49.56 -53.16 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 122.996 0.519 . . . . 10.0 109.832 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -65.14 -58.19 6.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.635 -0.698 . . . . 10.0 111.777 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.69 -42.74 71.79 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.499 1.045 . . . . 10.0 110.825 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.21 -49.98 73.6 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.89 0.876 . . . . 10.0 111.124 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.22 -54.86 40.77 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.491 0.662 . . . . 10.0 109.663 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.94 -38.93 80.13 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.44 1.096 . . . . 10.0 111.669 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 57.8 tp -48.02 -50.98 25.86 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.435 0.694 . . . . 10.0 110.496 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.49 -53.26 20.02 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 26.0 mmt -48.29 -42.56 31.22 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.696 -0.627 . . . . 10.0 112.499 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.7 p -56.43 -23.88 41.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.889 0.876 . . . . 10.0 113.309 -175.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.9 m -51.51 -35.4 40.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.863 -0.589 . . . . 10.0 112.192 -173.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.1 -53.67 55.71 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.315 0.961 . . . . 10.0 111.091 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 O-C-N 121.89 -0.506 . . . . 10.0 109.648 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tptp . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 120.462 0.172 . . . . 10.0 110.943 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.52 -73.36 0.77 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -52.67 -24.85 9.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.763 1.225 . . . . 10.0 111.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -34.25 -44.85 0.2 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.251 1.82 . . . . 10.0 111.293 169.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.75 -33.69 10.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.852 1.261 . . . . 10.0 113.429 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -75.05 -18.39 60.32 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.584 1.154 . . . . 10.0 112.379 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.63 130.16 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.461 0.705 . . . . 10.0 111.875 -169.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -88.05 158.41 18.61 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.092 0.957 . . . . 10.0 111.123 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -57.77 -42.6 84.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.913 0.885 . . . . 10.0 108.97 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.04 -49.32 71.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.126 0.971 . . . . 10.0 110.173 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.7 -48.06 83.19 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.974 -0.536 . . . . 10.0 110.915 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -52.58 -50.6 62.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.48 1.036 . . . . 10.0 110.594 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.2 m -55.08 -52.2 63.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.116 0.966 . . . . 10.0 110.964 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -66.4 -31.34 72.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.726 0.811 . . . . 10.0 110.656 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -67.63 -50.78 56.37 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.924 -1.11 . . . . 10.0 110.383 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.51 -50.7 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 171.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -49.04 -51.63 30.04 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.555 -0.735 . . . . 10.0 110.835 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -40.48 72.98 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 119.088 0.858 . . . . 10.0 110.099 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 72' ' ' ILE . 23.5 mt -55.82 -58.16 9.01 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 174.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -54.32 -63.14 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -38.43 -50.18 1.5 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.697 2.799 . . . . 10.0 112.494 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.75 -54.08 18.13 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 122.035 -0.416 . . . . 10.0 110.671 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.88 -39.57 82.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 122.827 0.451 . . . . 10.0 110.48 -176.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -151.94 103.02 2.83 Favored Pre-proline 0 N--CA 1.449 -0.501 0 C-N-CA 127.359 2.264 . . . . 10.0 107.796 -169.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.3 125.11 12.97 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.549 1.499 . . . . 10.0 110.802 -173.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 p -69.9 118.94 68.08 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.698 1.199 . . . . 10.0 110.161 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.74 -43.38 59.73 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.659 2.239 . . . . 10.0 112.468 173.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -162.85 147.04 9.05 Favored Pre-proline 0 CA--C 1.53 0.183 0 N-CA-C 106.797 -1.557 . . . . 10.0 106.797 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.03 -44.54 14.96 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.819 2.346 . . . . 10.0 113.393 172.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.63 -31.48 62.34 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.614 -0.679 . . . . 10.0 112.18 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.57 -25.41 59.95 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.978 -0.451 . . . . 10.0 111.474 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.65 -18.65 32.46 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.43 0.559 . . . . 10.0 112.36 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -66.29 -21.05 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.641 0.655 . . . . 10.0 112.299 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.7 149.43 39.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.889 0.768 . . . . 10.0 110.912 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -63.63 -51.68 64.14 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.189 0.596 . . . . 10.0 112.207 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -59.78 -44.77 93.74 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -57.14 -53.05 62.45 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.791 -0.623 . . . . 10.0 110.511 174.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.13 -40.85 67.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.227 0.921 . . . . 10.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -62.25 -46.18 90.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.826 -0.546 . . . . 10.0 110.902 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.3 -38.99 93.02 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.436 -0.79 . . . . 10.0 110.973 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.32 -48.84 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.254 1.422 . . . . 10.0 109.086 172.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.75 80.27 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.951 -0.468 . . . . 10.0 110.543 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.71 -50.75 67.55 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.386 -0.196 . . . . 10.0 110.476 174.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.9 -47.88 76.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.924 0.489 . . . . 10.0 111.187 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.18 -53.06 61.63 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.197 0.599 . . . . 10.0 110.52 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -52.6 -56.78 12.92 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.483 0.713 . . . . 10.0 110.332 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -42.65 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -57.39 -48.15 79.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.97 0.804 . . . . 10.0 110.207 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.56 -50.35 57.51 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.457 -0.657 . . . . 10.0 111.457 174.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.62 -50.85 64.81 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.164 -0.609 . . . . 10.0 110.658 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.12 -41.58 96.95 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 119.413 -0.327 . . . . 10.0 111.122 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.0 -51.24 64.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.975 0.51 . . . . 10.0 110.415 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -63.29 -40.33 97.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.085 0.554 . . . . 10.0 111.125 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 m -67.72 -42.92 81.15 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.926 -0.484 . . . . 10.0 112.186 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.25 121.01 19.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.715 1.206 . . . . 10.0 111.905 -169.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.68 22.85 5.87 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.679 -0.638 . . . . 10.0 110.373 173.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 t -165.63 148.97 7.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -53.31 -46.28 69.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.145 0.978 . . . . 10.0 109.278 169.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.24 -42.25 98.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.072 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.28 -53.44 57.65 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -46.53 -51.31 15.73 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.574 1.15 . . . . 10.0 111.325 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -56.05 -56.97 14.38 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.774 -0.579 . . . . 10.0 111.353 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.73 -58.19 8.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.325 0.4 OUTLIER -66.38 -28.02 68.32 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.643 -0.661 . . . . 10.0 112.169 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.18 -52.65 57.94 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 119.762 1.164 . . . . 10.0 110.387 169.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.16 -47.74 71.62 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.369 . . . . 10.0 110.593 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -57.58 -49.41 76.48 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.006 0.523 . . . . 10.0 110.787 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -54.64 -50.72 67.46 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.886 -0.509 . . . . 10.0 110.296 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.414 HD11 HD23 ' A' ' 22' ' ' LEU . 96.7 mt -53.2 -51.07 42.98 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 175.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -55.5 16.21 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.629 0.772 . . . . 10.0 109.409 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -56.89 -50.08 73.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.006 -0.521 . . . . 10.0 111.808 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.03 -53.54 10.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.979 0.809 . . . . 10.0 109.57 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.67 -48.66 80.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.103 0.41 . . . . 10.0 110.525 -176.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -57.22 -55.84 29.57 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.787 0.435 . . . . 10.0 111.85 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 123.528 0.731 . . . . 10.0 111.635 -175.279 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 121.614 0.721 . . . . 10.0 111.333 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -61.54 -36.07 79.54 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.304 -0.862 . . . . 10.0 111.277 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -50.88 61.39 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.28 -51.47 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -66.18 -49.0 68.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 119.032 -0.509 . . . . 10.0 111.488 -173.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.16 -42.53 95.13 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.826 0.739 . . . . 10.0 110.015 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.13 -53.45 57.9 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.652 0.381 . . . . 10.0 110.501 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.62 -48.09 80.38 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.948 0.499 . . . . 10.0 110.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.86 -38.06 89.72 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.421 1.089 . . . . 10.0 112.109 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.4 -54.34 14.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.07 0.948 . . . . 10.0 110.644 -174.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -53.4 49.19 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 18.5 mmt -42.17 -48.52 4.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.678 1.191 . . . . 10.0 111.339 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.7 p -69.55 -9.45 54.03 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.36 1.245 . . . . 10.0 114.36 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.4 m -46.85 -55.64 7.63 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.801 1.037 . . . . 10.0 113.801 -169.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.09 -40.95 77.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.685 1.584 . . . . 10.0 112.221 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m120 . . . . . 0 C--N 1.333 -0.148 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 179.61 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 112.859 0.689 . . . . 10.0 112.859 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.34 -69.67 1.36 Allowed Glycine 0 CA--C 1.526 0.759 0 O-C-N 120.66 -1.275 . . . . 10.0 110.378 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -53.07 -35.97 60.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.09 0.956 . . . . 10.0 111.807 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -39.36 -39.57 0.68 Allowed 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.683 1.593 . . . . 10.0 112.548 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -49.94 -35.06 22.59 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.171 0.988 . . . . 10.0 113.276 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -104.27 15.44 28.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.16 88.46 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 124.063 0.945 . . . . 10.0 108.517 172.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 p -87.97 163.31 16.39 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.903 1.681 . . . . 10.0 111.916 -171.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -43.15 -43.92 4.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.04 1.736 . . . . 10.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.92 -44.58 89.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.772 -0.58 . . . . 10.0 111.448 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.78 -45.05 91.47 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -53.61 -46.58 70.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.008 -0.433 . . . . 10.0 110.501 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -58.05 -50.15 74.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.842 0.857 . . . . 10.0 111.194 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -63.9 -36.93 85.55 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.833 -0.542 . . . . 10.0 110.467 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.43 -48.31 78.31 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.075 -1.015 . . . . 10.0 110.77 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.92 -49.06 28.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.685 0.675 . . . . 10.0 109.854 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -54.09 -50.65 66.34 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.035 -0.507 . . . . 10.0 110.653 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.67 -43.72 72.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.866 0.757 . . . . 10.0 111.305 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.0 mt -54.07 -54.74 35.26 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.228 0.922 . . . . 10.0 109.68 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.27 -53.84 17.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 CA-C-O 118.368 -0.825 . . . . 10.0 109.653 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -55.81 -51.81 66.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.037 0.835 . . . . 10.0 111.682 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.34 88.82 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.254 0.622 . . . . 10.0 111.233 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.25 -39.95 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 122.626 0.37 . . . . 10.0 110.458 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -155.17 99.83 2.32 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.578 1.551 . . . . 10.0 110.368 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.84 119.57 6.62 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.6 1.533 . . . . 10.0 109.582 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p -75.66 121.05 84.32 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 117.743 -1.123 . . . . 10.0 110.682 -170.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.52 -41.36 60.83 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.047 2.498 . . . . 10.0 113.196 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -158.56 139.29 9.26 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 117.513 -1.232 . . . . 10.0 107.895 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -43.29 -44.03 10.25 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.359 2.706 . . . . 10.0 113.452 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.8 50.35 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.701 -0.624 . . . . 10.0 112.115 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -25.63 39.02 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.746 0.818 . . . . 10.0 111.981 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -55.37 -19.28 8.51 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -59.09 -29.05 67.06 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.773 0.715 . . . . 10.0 112.693 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.48 136.63 54.92 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.582 -0.699 . . . . 10.0 110.775 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -46.27 18.11 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.6 1.16 . . . . 10.0 112.759 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -58.97 -46.46 88.03 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.0 mmm -64.1 -47.48 79.88 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 118.805 -0.617 . . . . 10.0 109.944 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.47 -44.05 65.33 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.132 0.878 . . . . 10.0 110.812 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.34 -45.61 92.43 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.984 -0.447 . . . . 10.0 111.028 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.96 -43.79 97.83 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.491 -0.755 . . . . 10.0 110.94 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.5 -51.24 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 125.341 1.457 . . . . 10.0 108.797 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.95 73.86 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.532 0.333 . . . . 10.0 110.727 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -54.95 -49.81 70.43 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.078 0.399 . . . . 10.0 110.825 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.76 -46.47 87.39 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.892 0.477 . . . . 10.0 111.013 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.21 -53.53 56.05 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.9 0.48 . . . . 10.0 110.516 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.42 -51.91 61.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.417 0.687 . . . . 10.0 110.72 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -44.23 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 119.356 -0.354 . . . . 10.0 110.554 -176.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -54.4 -46.15 73.05 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.946 0.794 . . . . 10.0 110.232 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.22 -55.21 22.86 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.759 -0.936 . . . . 10.0 110.759 173.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.25 -49.51 61.02 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.218 0.607 . . . . 10.0 110.842 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mmt -61.85 -46.98 87.09 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.339 -0.226 . . . . 10.0 111.296 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.54 -43.16 75.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.094 0.958 . . . . 10.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.72 -46.77 71.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.83 0.852 . . . . 10.0 111.689 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -69.04 -41.56 77.5 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 113.18 3.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -169.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -57.09 -30.93 64.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.029 1.332 . . . . 10.0 113.207 171.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 p -143.99 163.46 33.41 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.185 0.994 . . . . 10.0 110.028 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -56.83 -44.71 82.34 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.39 -55.54 18.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.92 0.888 . . . . 10.0 110.193 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -54.9 -51.32 66.38 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -51.67 -51.66 54.11 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.115 0.966 . . . . 10.0 111.767 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -60.25 -48.8 80.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.992 -0.442 . . . . 10.0 110.631 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -54.52 -62.34 1.72 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.271 -0.395 . . . . 10.0 111.925 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.86 -30.14 70.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.275 0.943 . . . . 10.0 112.988 -175.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.2 mt -64.62 -55.06 22.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.069 1.304 . . . . 10.0 110.749 171.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.71 78.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.104 -0.372 . . . . 10.0 110.165 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.74 -45.91 92.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.687 0.795 . . . . 10.0 110.886 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -53.23 -52.58 58.48 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.701 0.682 . . . . 10.0 109.895 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.0 mt -53.51 -54.83 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.882 0.373 . . . . 10.0 110.445 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.83 -53.6 18.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.881 1.672 . . . . 10.0 109.474 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -55.93 -54.08 49.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.602 -0.714 . . . . 10.0 111.102 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.97 -58.84 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 119.001 0.818 . . . . 10.0 109.736 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -52.17 -59.07 4.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.884 0.311 . . . . 10.0 111.142 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -49.52 73.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.84 1.256 . . . . 10.0 111.638 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.66 0.743 . . . . 10.0 110.911 178.479 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 120.585 0.231 . . . . 10.0 111.384 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -52.09 -36.17 50.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.437 0.695 . . . . 10.0 111.366 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.86 -40.88 4.76 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.666 1.186 . . . . 10.0 111.894 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.1 mm -53.43 -53.16 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.145 0.978 . . . . 10.0 110.208 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -49.11 40.68 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 -169.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.91 -38.72 76.37 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.692 -0.194 . . . . 10.0 110.825 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.22 -51.8 67.46 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.357 0.663 . . . . 10.0 110.806 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.97 -55.0 35.62 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.508 0.67 . . . . 10.0 109.95 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.74 -42.28 78.99 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.826 0.85 . . . . 10.0 111.908 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.04 -52.01 37.68 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 123.966 0.906 . . . . 10.0 110.31 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.65 -54.83 16.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 62.3 mtt -51.58 -36.54 45.81 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 40.6 m -69.51 -13.32 62.28 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 14.5 m -51.32 -48.31 62.41 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.561 1.528 . . . . 10.0 111.685 -175.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -60.96 -42.95 99.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.024 -0.423 . . . . 10.0 111.529 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.227 -0.12 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 177.061 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 107.279 -1.378 . . . . 10.0 107.279 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.67 30.93 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 118.915 0.779 . . . . 10.0 111.352 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -60.48 -20.94 61.7 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.864 0.865 . . . . 10.0 112.989 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -55.83 -32.79 63.9 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.776 0.83 . . . . 10.0 111.511 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -38.33 -37.69 0.31 Allowed 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.575 1.55 . . . . 10.0 112.788 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -106.63 5.61 29.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.993 1.109 . . . . 10.0 113.993 -171.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.96 111.68 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 119.318 0.963 . . . . 10.0 110.311 -174.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.6 p -78.74 163.5 25.34 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 122.239 1.019 . . . . 10.0 112.376 -174.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -60.75 -43.78 97.55 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.704 -1.135 . . . . 10.0 109.741 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.57 -48.52 69.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 10.0 110.398 174.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.84 -52.19 66.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 119.249 -0.405 . . . . 10.0 110.982 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -51.63 -47.96 63.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.077 0.853 . . . . 10.0 111.682 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -61.43 -45.3 94.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.159 0.984 . . . . 10.0 110.845 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -69.89 -33.15 71.83 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.514 -0.742 . . . . 10.0 110.333 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.64 -47.34 84.17 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.389 -1.444 . . . . 10.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.36 -47.51 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.17 -48.72 67.78 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.67 -0.644 . . . . 10.0 111.869 174.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -55.83 -45.5 78.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.899 -0.572 . . . . 10.0 111.048 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.32 -52.79 60.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.801 0.728 . . . . 10.0 109.757 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.2 t -52.57 -50.28 40.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 117.995 -1.002 . . . . 10.0 109.927 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -59.85 -47.87 83.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 10.0 111.154 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.09 -36.74 84.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.427 0.691 . . . . 10.0 111.415 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.16 -37.72 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.464 0.706 . . . . 10.0 110.769 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -156.51 91.22 2.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 126.34 1.856 . . . . 10.0 110.517 -168.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.42 114.8 1.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.815 2.343 . . . . 10.0 110.893 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -83.1 131.22 54.32 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 -171.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.71 -40.9 9.09 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.51 2.14 . . . . 10.0 112.126 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -155.78 140.23 11.81 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-O 117.595 -1.193 . . . . 10.0 108.285 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -42.61 -45.63 8.35 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.459 2.773 . . . . 10.0 113.802 172.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.4 -32.39 57.08 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 10.0 112.211 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.53 -24.86 61.62 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.128 0.571 . . . . 10.0 111.592 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.76 -20.9 24.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.421 0.555 . . . . 10.0 112.214 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -66.25 -19.48 65.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.13 149.56 47.46 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 0.801 . . . . 10.0 111.023 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.93 77.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.095 0.558 . . . . 10.0 111.849 -174.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -63.73 -46.6 84.65 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 79.2 mmm -53.49 -53.39 52.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 119.33 -0.367 . . . . 10.0 110.298 171.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.03 -40.91 64.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.561 0.744 . . . . 10.0 111.396 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -60.72 -47.55 85.76 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.837 -0.54 . . . . 10.0 110.891 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.74 -43.34 99.07 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.529 -0.732 . . . . 10.0 110.708 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.56 -49.94 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.5 1.12 . . . . 10.0 109.238 174.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.41 77.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.708 0.403 . . . . 10.0 110.927 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.38 -49.33 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.132 -0.355 . . . . 10.0 110.858 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.64 90.55 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.89 0.476 . . . . 10.0 111.022 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -56.12 -52.57 63.87 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.943 0.497 . . . . 10.0 110.244 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -53.22 -55.84 21.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.268 0.627 . . . . 10.0 110.377 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -45.63 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 119.324 -0.37 . . . . 10.0 110.612 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.09 -45.45 75.42 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.092 0.86 . . . . 10.0 110.743 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.78 -54.08 32.75 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -51.77 -49.52 62.48 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.381 0.672 . . . . 10.0 110.682 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 19.8 mmt -60.4 -43.82 96.3 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.188 -0.435 . . . . 10.0 110.97 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.13 -50.97 67.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.31 0.505 . . . . 10.0 110.153 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -64.25 -37.14 86.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.075 0.55 . . . . 10.0 111.68 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 m -68.2 -41.03 81.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.611 0.72 . . . . 10.0 111.851 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.29 103.27 1.56 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.433 1.093 . . . . 10.0 112.974 -169.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.42 -23.14 62.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.88 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -144.57 167.53 22.3 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.767 0.827 . . . . 10.0 110.093 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.02 -46.55 88.71 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.555 1.542 . . . . 10.0 110.26 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -48.25 -53.33 17.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.988 0.515 . . . . 10.0 110.875 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -57.15 -52.05 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.014 -0.517 . . . . 10.0 110.029 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -46.29 -51.13 15.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.273 0.629 . . . . 10.0 112.077 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -64.18 -49.77 70.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.97 -0.456 . . . . 10.0 111.206 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.72 -60.47 3.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -66.23 -30.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.985 0.811 . . . . 10.0 112.831 -174.207 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 mt -65.31 -51.99 57.0 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.553 1.069 . . . . 10.0 110.74 172.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.14 83.41 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.76 -0.588 . . . . 10.0 110.412 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.12 -49.15 76.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.765 0.826 . . . . 10.0 110.372 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -52.07 -53.01 47.5 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.325 0.65 . . . . 10.0 110.211 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.91 -52.65 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.193 0.521 . . . . 10.0 111.019 175.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.48 -51.57 64.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.225 1.01 . . . . 10.0 109.292 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -56.64 -50.44 72.05 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-O 118.434 -0.793 . . . . 10.0 111.432 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.12 -58.96 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 119.29 0.95 . . . . 10.0 109.461 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -53.46 -55.18 27.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.507 0.594 . . . . 10.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -55.35 -48.02 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 . . . . . 0 CA--C 1.533 0.294 0 C-N-CA 123.763 0.825 . . . . 10.0 110.817 -179.356 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 115.894 1.813 . . . . 10.0 115.894 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.01 -47.27 85.82 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.173 0.589 . . . . 10.0 110.845 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -59.9 -44.11 94.43 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.206 0.602 . . . . 10.0 110.023 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.27 -49.99 59.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -62.75 -46.77 86.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 119.477 -0.297 . . . . 10.0 110.792 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -55.84 -49.46 73.23 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.257 0.48 . . . . 10.0 111.205 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.23 -50.61 72.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.165 0.986 . . . . 10.0 110.141 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.94 -48.26 76.05 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.244 0.618 . . . . 10.0 109.896 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.27 -41.21 97.02 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.121 1.369 . . . . 10.0 112.092 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 tp -44.65 -48.54 10.54 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 125.319 1.448 . . . . 10.0 111.778 -173.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -39.57 84.92 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.05 -0.406 . . . . 10.0 110.63 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 28.7 mtt -73.99 -39.51 63.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.88 0.872 . . . . 10.0 110.632 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.2 p -51.11 -29.38 13.15 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.47 0.708 . . . . 10.0 112.714 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -37.84 -47.25 1.01 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.973 1.309 . . . . 10.0 111.841 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.82 -31.69 68.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.527 0.731 . . . . 10.0 111.986 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 . . . . . 0 CA--C 1.522 -0.123 0 C-N-CA 123.956 0.902 . . . . 10.0 109.659 177.6 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.89 49.87 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.675 -0.57 . . . . 10.0 111.675 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.43 -9.63 58.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.751 0.82 . . . . 10.0 112.822 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -50.4 -46.36 56.2 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.837 0.744 . . . . 10.0 109.779 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.83 -30.54 14.6 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.841 0.856 . . . . 10.0 112.601 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -78.76 -42.73 27.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.447 0.699 . . . . 10.0 110.453 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.39 89.64 1.94 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 123.419 0.688 . . . . 10.0 109.919 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.7 p -59.44 166.0 2.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.874 1.27 . . . . 10.0 112.261 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -58.2 -48.17 81.16 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.718 -1.128 . . . . 10.0 110.493 174.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.96 -47.63 77.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.361 0.664 . . . . 10.0 111.694 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.33 -48.82 79.6 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.765 1.166 . . . . 10.0 110.812 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -60.92 -34.91 75.42 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 120.829 -1.169 . . . . 10.0 111.879 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 m -58.44 -47.76 82.93 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.849 0.75 . . . . 10.0 111.067 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -62.22 -39.61 93.36 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.752 -0.593 . . . . 10.0 110.595 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.45 -47.14 80.19 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.215 -0.928 . . . . 10.0 110.92 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 t -48.5 -51.7 10.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 118.906 0.776 . . . . 10.0 109.883 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -51.41 -53.19 39.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.865 -0.588 . . . . 10.0 110.796 174.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -51.95 -43.24 63.41 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.981 0.81 . . . . 10.0 111.756 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.96 -53.62 54.7 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 118.971 0.805 . . . . 10.0 109.882 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -52.89 -52.61 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 118.823 -0.608 . . . . 10.0 109.754 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -54.51 -49.7 69.6 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.77 0.713 . . . . 10.0 111.613 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.43 87.48 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.392 0.677 . . . . 10.0 111.678 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.11 -43.48 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.342 0.657 . . . . 10.0 110.248 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -166.24 100.0 0.71 Allowed Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.195 1.398 . . . . 10.0 109.234 -169.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.72 127.24 20.44 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.69 2.927 . . . . 10.0 112.553 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -67.79 121.85 81.21 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 117.619 -1.181 . . . . 10.0 110.02 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.02 -42.87 50.94 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.981 2.454 . . . . 10.0 113.045 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -161.76 144.66 9.11 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -43.83 -45.18 11.41 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.112 2.541 . . . . 10.0 113.532 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.38 -34.54 58.06 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.708 -0.62 . . . . 10.0 112.072 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.02 -29.87 58.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.304 0.641 . . . . 10.0 111.425 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt -52.76 -24.81 9.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.413 0.685 . . . . 10.0 112.246 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.25 -17.79 63.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.116 0.784 . . . . 10.0 113.116 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -94.79 139.35 31.4 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.134 0.879 . . . . 10.0 111.72 -172.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -30.04 -53.74 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.323 2.249 . . . . 10.0 112.928 172.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 tpt85 -53.85 -41.39 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.698 1.199 . . . . 10.0 111.582 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -46.95 14.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.658 0.383 . . . . 10.0 110.719 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -48.29 -38.5 18.99 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.435 0.694 . . . . 10.0 111.929 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -56.18 -48.02 77.17 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 173.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 mp -69.71 -41.8 74.86 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.752 -0.592 . . . . 10.0 109.637 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.19 -51.53 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.53 57.23 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.143 0.977 . . . . 10.0 111.085 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.07 -49.21 66.85 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.68 0.392 . . . . 10.0 110.733 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.6 -47.25 86.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.244 0.617 . . . . 10.0 110.692 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -55.04 -52.99 61.45 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.184 0.447 . . . . 10.0 110.66 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -53.12 -55.79 21.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.417 0.687 . . . . 10.0 110.974 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.76 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 122.703 0.401 . . . . 10.0 110.619 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -56.61 -46.79 80.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 121.679 -0.638 . . . . 10.0 109.929 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -58.34 8.02 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -48.9 -51.28 30.84 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.108 0.563 . . . . 10.0 111.071 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.4 mmt -61.19 -43.84 98.24 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 119.229 -0.415 . . . . 10.0 111.773 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -57.99 -45.59 86.58 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.509 0.595 . . . . 10.0 110.246 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.7 -38.58 80.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.789 0.436 . . . . 10.0 111.308 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 m -72.73 -46.2 54.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.551 0.691 . . . . 10.0 112.342 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 115.84 5.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.739 1.215 . . . . 10.0 111.461 -169.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.81 20.37 3.55 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.625 -0.672 . . . . 10.0 110.875 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -167.69 150.48 5.9 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.084 1.354 . . . . 10.0 108.118 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -56.02 -41.57 75.15 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.607 0.763 . . . . 10.0 110.058 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.17 -49.49 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -57.07 -54.82 42.47 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -47.31 -51.98 17.71 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.334 1.054 . . . . 10.0 112.141 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -59.31 -53.57 56.75 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.595 -0.69 . . . . 10.0 110.823 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -52.26 -63.29 1.19 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.966 0.506 . . . . 10.0 112.287 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.302 0.3 OUTLIER -66.95 -25.31 66.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.546 -0.74 . . . . 10.0 112.14 -173.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 mt -65.78 -53.24 42.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 120.027 1.285 . . . . 10.0 110.54 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.12 -45.39 75.54 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.079 -0.388 . . . . 10.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.98 -42.4 98.3 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.836 0.454 . . . . 10.0 110.944 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.94 -52.35 66.14 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.497 -0.752 . . . . 10.0 110.3 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 95.9 mt -50.63 -54.91 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.103 0.478 . . . . 10.0 109.784 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -50.96 -52.86 38.32 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.053 0.941 . . . . 10.0 110.004 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -57.36 -51.07 70.9 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 118.2 -0.905 . . . . 10.0 111.073 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.6 -57.96 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 120.301 1.41 . . . . 10.0 109.199 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -51.69 -58.62 5.86 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.31 0.504 . . . . 10.0 111.21 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -57.11 -55.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.06 0.944 . . . . 10.0 112.465 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 . . . . . 0 C--N 1.328 -0.337 0 C-N-CA 124.126 0.97 . . . . 10.0 110.574 -179.019 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 113.487 0.921 . . . . 10.0 113.487 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.55 -41.34 98.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.528 0.331 . . . . 10.0 110.668 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.31 89.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.9 -53.18 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.289 0.636 . . . . 10.0 109.815 175.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -64.71 -51.05 64.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.067 -0.492 . . . . 10.0 111.336 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -52.46 -51.34 59.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.575 0.625 . . . . 10.0 110.332 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.05 -52.25 64.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.274 1.029 . . . . 10.0 110.846 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.49 -49.55 76.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.633 0.73 . . . . 10.0 109.978 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.25 -37.16 84.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.259 1.423 . . . . 10.0 111.445 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 tp -49.24 -53.31 22.17 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.135 0.974 . . . . 10.0 110.626 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.13 -52.42 55.36 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.5 mmt -47.65 -40.91 21.04 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.972 0.509 . . . . 10.0 112.098 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 61.5 m -61.58 -25.97 67.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.437 1.273 . . . . 10.0 114.437 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -42.66 -52.57 4.82 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.924 1.238 . . . . 10.0 113.545 -169.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -56.65 -35.89 68.88 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 123.373 0.669 . . . . 10.0 110.009 -179.879 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.74 -67.95 1.61 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 109.203 -1.559 . . . . 10.0 109.203 -169.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -71.38 -18.19 62.37 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.003 0.921 . . . . 10.0 112.411 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -45.56 -44.82 13.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.223 1.009 . . . . 10.0 110.472 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -38.71 -42.54 0.81 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 127.952 2.501 . . . . 10.0 112.842 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -89.09 -2.97 58.78 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.005 1.322 . . . . 10.0 111.933 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.56 89.9 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 123.965 0.906 . . . . 10.0 108.923 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 p -86.11 173.73 9.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.636 1.574 . . . . 10.0 111.038 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.71 -40.62 13.68 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.859 1.264 . . . . 10.0 111.7 176.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.11 -57.55 12.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.457 0.703 . . . . 10.0 109.58 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.45 -40.93 96.65 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.332 -0.366 . . . . 10.0 110.18 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -54.18 -50.1 67.81 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.18 0.9 . . . . 10.0 110.927 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 t -57.73 -51.88 67.74 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.241 0.616 . . . . 10.0 110.416 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -53.51 -44.51 69.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.717 0.807 . . . . 10.0 110.332 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.3 -47.52 76.31 Favored 'General case' 0 C--O 1.225 -0.221 0 O-C-N 121.61 -0.681 . . . . 10.0 111.368 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.7 t -53.24 -48.7 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 119.473 1.033 . . . . 10.0 110.268 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -52.28 -51.76 56.67 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.799 -0.563 . . . . 10.0 109.949 173.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.29 -36.33 73.16 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD11 ' A' ' 72' ' ' ILE . 90.0 mt -57.07 -54.14 50.12 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 120.111 1.323 . . . . 10.0 108.655 171.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.57 -51.38 43.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 118.074 -0.965 . . . . 10.0 109.741 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.47 -48.83 80.15 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 119.641 1.109 . . . . 10.0 112.271 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.77 84.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.617 -0.677 . . . . 10.0 111.238 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.39 -46.62 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 O-C-N 121.774 -0.579 . . . . 10.0 109.614 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -144.15 92.36 6.23 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 126.903 2.081 . . . . 10.0 110.346 -168.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -65.41 114.15 2.76 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.611 1.541 . . . . 10.0 109.226 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -79.55 120.0 78.8 Favored Pre-proline 0 N--CA 1.455 -0.22 0 CA-C-O 117.8 -1.095 . . . . 10.0 110.637 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.66 -40.23 55.88 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 123.167 2.578 . . . . 10.0 113.205 173.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.65 130.91 9.2 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.872 -1.061 . . . . 10.0 108.144 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.06 -42.15 12.7 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.765 2.977 . . . . 10.0 113.273 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.75 47.67 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.491 -0.756 . . . . 10.0 111.962 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -23.38 32.22 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 10.0 112.238 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.68 -25.15 3.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.497 0.719 . . . . 10.0 112.611 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -24.55 67.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.195 0.813 . . . . 10.0 113.195 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.37 137.02 57.22 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.441 -0.787 . . . . 10.0 110.848 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -40.62 -49.22 2.99 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.179 1.391 . . . . 10.0 113.321 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.64 -44.62 96.16 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.041 -0.412 . . . . 10.0 110.223 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.8 mmm -65.33 -45.41 84.38 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.029 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -53.85 -44.59 70.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.297 0.953 . . . . 10.0 110.529 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -48.12 81.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 122.117 -0.364 . . . . 10.0 110.677 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.47 -40.01 94.89 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.515 0.326 . . . . 10.0 110.822 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.81 -51.28 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.575 1.55 . . . . 10.0 108.68 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.32 72.76 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.579 0.352 . . . . 10.0 110.684 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -53.78 -51.84 62.13 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 122.42 0.288 . . . . 10.0 110.497 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.89 88.1 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.87 0.868 . . . . 10.0 111.106 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.29 -53.72 54.93 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.228 0.467 . . . . 10.0 110.186 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -51.55 -55.56 18.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.536 0.734 . . . . 10.0 110.252 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -47.71 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.649 0.78 . . . . 10.0 110.757 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -55.01 -48.51 73.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.463 1.028 . . . . 10.0 110.521 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.76 42.21 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.205 -0.758 . . . . 10.0 111.205 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.61 -48.55 66.24 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.552 0.741 . . . . 10.0 110.822 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 mmt -62.97 -43.25 99.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.059 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.74 -43.7 76.85 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.332 0.515 . . . . 10.0 110.415 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.54 -44.54 82.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.135 0.574 . . . . 10.0 111.74 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 m -70.49 -42.43 71.38 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 117.15 11.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.134 0.974 . . . . 10.0 112.038 -169.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.56 1.05 31.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.846 -0.534 . . . . 10.0 111.633 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.9 p -153.51 157.36 39.68 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 120.97 -1.081 . . . . 10.0 109.897 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -62.78 -44.11 97.03 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.37 0.668 . . . . 10.0 110.53 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.19 81.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 118.998 -0.525 . . . . 10.0 111.06 173.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.06 -50.54 73.68 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.988 0.813 . . . . 10.0 109.341 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -49.78 -51.96 35.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.982 0.913 . . . . 10.0 111.696 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.59 -52.82 63.39 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.636 -0.665 . . . . 10.0 110.931 173.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -55.56 -62.7 1.51 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.8 0.44 . . . . 10.0 112.101 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.3 OUTLIER -64.1 -26.53 68.58 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.791 0.723 . . . . 10.0 112.364 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.25 -57.08 10.47 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.799 1.181 . . . . 10.0 110.29 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.92 69.06 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.149 -0.344 . . . . 10.0 110.763 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.13 -49.48 71.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.21 0.604 . . . . 10.0 110.419 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -55.28 -51.1 67.78 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 118.955 0.798 . . . . 10.0 110.547 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.459 HD11 HD23 ' A' ' 22' ' ' LEU . 90.1 mt -51.4 -55.06 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.643 0.656 . . . . 10.0 109.941 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -52.85 41.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.853 1.261 . . . . 10.0 109.109 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -56.91 -52.4 65.34 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 117.757 -1.116 . . . . 10.0 111.275 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.9 -56.14 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 120.708 1.594 . . . . 10.0 109.396 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -51.23 -57.32 9.12 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.951 0.157 . . . . 10.0 110.748 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -59.0 -53.25 60.52 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.932 0.715 . . . . 10.0 112.932 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 C-N-CA 125.41 1.484 . . . . 10.0 110.327 -177.546 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -67.93 -34.65 77.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.496 -0.775 . . . . 10.0 111.025 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.3 69.61 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 175.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.36 -54.32 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.366 0.667 . . . . 10.0 110.027 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -65.95 -46.51 77.9 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.319 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -56.72 -49.48 75.07 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.244 0.475 . . . . 10.0 110.034 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 tp -54.11 -52.9 59.55 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.295 0.638 . . . . 10.0 110.84 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.19 -54.7 43.91 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.527 0.679 . . . . 10.0 109.939 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.64 -42.07 78.27 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 125.423 1.489 . . . . 10.0 111.99 -174.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.41 -46.14 62.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.197 0.599 . . . . 10.0 111.155 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.54 -55.0 15.2 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 96.4 mmm -48.53 -39.68 24.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.418 0.687 . . . . 10.0 112.185 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.0 m -60.83 -15.98 36.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 49.2 m -52.87 -57.17 11.13 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.61 1.096 . . . . 10.0 111.878 -170.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.08 -46.54 65.23 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 119.13 0.877 . . . . 10.0 112.37 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 C--N 1.332 -0.176 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 177.629 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.48 -64.16 2.55 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 121.172 -0.955 . . . . 10.0 111.437 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -50.73 -31.49 16.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.591 1.156 . . . . 10.0 112.035 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -36.34 -43.43 0.37 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.482 1.913 . . . . 10.0 112.342 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -44.11 -40.42 4.91 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.967 1.707 . . . . 10.0 112.315 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -99.28 21.36 12.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.106 1.363 . . . . 10.0 111.617 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -143.13 92.98 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 124.804 1.242 . . . . 10.0 107.841 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -78.34 164.15 25.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.937 1.295 . . . . 10.0 111.777 -173.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.11 39.51 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.271 1.028 . . . . 10.0 110.262 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.31 -48.2 79.54 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.686 0.794 . . . . 10.0 111.157 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.1 tp -66.32 -44.2 84.05 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -51.66 -50.26 60.73 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.837 -0.539 . . . . 10.0 109.947 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -57.12 -47.56 80.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.002 1.321 . . . . 10.0 111.133 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.7 -45.76 91.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.114 0.565 . . . . 10.0 110.276 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.46 -45.95 88.45 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.209 0.603 . . . . 10.0 110.551 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.89 -49.65 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.608 -0.682 . . . . 10.0 109.819 171.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.33 -49.79 71.3 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.047 -0.353 . . . . 10.0 110.047 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -52.75 -43.93 66.1 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 118.651 -0.69 . . . . 10.0 112.021 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 72' ' ' ILE . 49.1 mt -55.27 -53.25 58.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 119.272 0.942 . . . . 10.0 109.897 175.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.1 t -54.41 -54.27 23.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.202 -0.904 . . . . 10.0 109.671 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -54.15 -48.18 71.15 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.606 1.094 . . . . 10.0 111.885 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.17 90.89 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.477 0.711 . . . . 10.0 110.782 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.85 -52.03 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.231 0.539 . . . . 10.0 109.893 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -146.38 98.4 4.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.727 2.411 . . . . 10.0 108.714 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -55.36 124.39 16.17 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.949 2.433 . . . . 10.0 111.157 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.1 p -85.59 122.88 73.24 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 117.79 -1.1 . . . . 10.0 109.942 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.79 -40.44 39.16 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.593 2.862 . . . . 10.0 114.697 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -157.62 142.56 12.09 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 117.628 -1.177 . . . . 10.0 108.764 -173.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.18 -45.54 9.61 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.467 2.778 . . . . 10.0 113.851 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.97 60.69 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.538 -0.726 . . . . 10.0 111.897 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.09 50.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.031 0.533 . . . . 10.0 111.621 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.0 mt -53.98 -25.21 19.72 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.678 0.672 . . . . 10.0 112.299 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -72.34 -19.24 61.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.97 132.9 55.38 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.996 0.816 . . . . 10.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -48.47 -54.01 15.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -56.03 -45.75 79.04 Favored 'General case' 0 CA--C 1.529 0.154 0 O-C-N 121.693 -0.63 . . . . 10.0 109.739 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 29.0 tpp -61.25 -43.64 98.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.898 -0.501 . . . . 10.0 111.474 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -56.03 -38.0 69.96 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.276 0.63 . . . . 10.0 110.604 173.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.28 -44.09 89.13 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.957 -0.464 . . . . 10.0 111.067 174.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.79 -48.11 82.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.994 0.815 . . . . 10.0 110.022 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -52.96 -50.61 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.914 0.886 . . . . 10.0 109.694 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.56 68.63 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.933 -0.479 . . . . 10.0 111.093 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -53.48 -49.95 66.39 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.741 0.417 . . . . 10.0 110.637 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -46.34 88.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.767 0.427 . . . . 10.0 110.847 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -56.12 -52.96 62.44 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -52.42 -56.11 17.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.372 0.669 . . . . 10.0 110.619 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -44.35 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 122.279 -0.263 . . . . 10.0 110.504 -174.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -57.65 -46.78 83.77 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.601 -0.687 . . . . 10.0 110.628 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.87 -50.89 52.72 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.09 -50.23 64.82 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.354 -0.498 . . . . 10.0 110.869 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -43.11 95.7 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 119.374 -0.346 . . . . 10.0 111.228 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.95 -44.95 67.47 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.908 0.883 . . . . 10.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.72 -32.82 41.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.0 m -70.57 -47.87 58.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.893 0.77 . . . . 10.0 111.723 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.97 125.66 25.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.202 1.001 . . . . 10.0 111.253 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.39 19.79 11.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.838 -0.539 . . . . 10.0 111.222 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -168.55 147.23 4.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 126.131 1.773 . . . . 10.0 107.954 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -53.3 -44.71 68.56 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.468 0.707 . . . . 10.0 110.348 173.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -49.85 -52.24 34.05 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.262 0.625 . . . . 10.0 111.284 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.17 -52.58 64.98 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -48.28 -50.38 30.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.651 0.78 . . . . 10.0 112.041 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.02 -55.84 29.93 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.604 -0.685 . . . . 10.0 110.936 172.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -53.94 -59.15 5.01 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -174.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.307 0.3 OUTLIER -67.09 -26.11 66.55 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.491 -0.766 . . . . 10.0 112.424 -177.146 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.63 -51.78 56.95 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 120.066 1.303 . . . . 10.0 109.705 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.49 -48.39 68.98 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.154 -0.341 . . . . 10.0 110.181 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -57.4 -46.94 82.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.094 -0.379 . . . . 10.0 110.953 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -55.47 -52.68 62.83 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.82 -0.55 . . . . 10.0 110.249 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.404 HD11 HD23 ' A' ' 22' ' ' LEU . 96.7 mt -50.67 -53.12 14.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-O 120.817 0.342 . . . . 10.0 110.113 174.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -55.63 19.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 10.0 109.382 -177.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -58.42 -50.05 75.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.485 -0.769 . . . . 10.0 111.591 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.7 mt -47.65 -60.55 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -51.07 -53.77 30.88 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.794 0.724 . . . . 10.0 111.813 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -57.39 -53.77 54.35 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 123.831 0.853 . . . . 10.0 110.922 179.126 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 121.101 0.477 . . . . 10.0 112.009 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.44 -39.18 86.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.176 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -51.25 64.75 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.76 -54.48 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.441 0.696 . . . . 10.0 110.007 175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.12 -47.69 73.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.195 -0.431 . . . . 10.0 111.26 -173.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -56.36 -48.32 77.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.39 0.541 . . . . 10.0 110.223 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.16 -50.76 70.26 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.176 0.99 . . . . 10.0 110.853 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.33 -53.54 56.45 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.502 0.668 . . . . 10.0 110.209 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.35 -43.59 79.26 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.616 1.566 . . . . 10.0 110.948 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.3 tp -45.87 -53.06 10.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.923 0.889 . . . . 10.0 110.703 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.48 -52.09 43.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.3 mmt -45.81 -43.15 13.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.069 0.548 . . . . 10.0 111.769 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 56.5 p -69.4 -10.64 58.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 28.2 m -50.83 -46.65 60.07 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.732 1.151 . . . . 10.0 111.962 -173.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.43 -45.46 80.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.751 0.705 . . . . 10.0 112.316 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.53 0.193 0 C-N-CA 123.691 0.796 . . . . 10.0 110.776 179.648 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 107.64 -1.244 . . . . 10.0 107.64 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.93 -39.6 40.66 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.434 0.561 . . . . 10.0 111.949 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -79.96 -9.96 59.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.773 0.829 . . . . 10.0 113.21 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -49.35 -42.66 42.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.808 0.843 . . . . 10.0 111.975 -173.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.54 -35.79 4.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.223 1.409 . . . . 10.0 113.335 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -70.47 -61.93 1.58 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 122.024 0.916 . . . . 10.0 110.137 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 64' ' ' TYR . 23.2 t -86.24 85.91 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.278 -169.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -71.32 162.33 29.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.747 -1.115 . . . . 10.0 111.767 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -48.26 -42.06 29.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.038 1.335 . . . . 10.0 112.782 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.98 -44.94 96.63 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.97 -0.457 . . . . 10.0 111.086 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.74 -45.68 81.69 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -50.67 -47.14 58.87 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.385 0.539 . . . . 10.0 110.471 173.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -57.98 -50.06 74.69 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.102 0.961 . . . . 10.0 110.923 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.32 -38.08 89.74 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.748 -0.595 . . . . 10.0 110.961 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.37 -48.2 76.39 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.769 -1.207 . . . . 10.0 110.722 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.5 t -51.28 -48.63 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.463 -0.773 . . . . 10.0 109.86 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -53.31 -46.97 69.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.803 -0.617 . . . . 10.0 111.231 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.26 -46.38 83.1 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 118.495 0.589 . . . . 10.0 111.325 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.0 mt -53.44 -52.34 59.76 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.795 0.725 . . . . 10.0 109.699 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.4 t -52.4 -51.65 31.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.25 -0.881 . . . . 10.0 109.354 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -58.33 -48.17 81.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.565 1.075 . . . . 10.0 111.482 -177.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.14 76.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.852 0.861 . . . . 10.0 111.324 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.6 mt -81.36 -41.49 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.337 0.655 . . . . 10.0 111.268 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -155.73 100.18 2.21 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 126.487 1.915 . . . . 10.0 109.543 -168.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -59.87 116.31 3.22 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.739 1.626 . . . . 10.0 109.829 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 m -74.15 126.59 89.02 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-O 118.975 -0.536 . . . . 10.0 110.483 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -51.35 -52.72 8.45 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 124.149 3.232 . . . . 10.0 114.185 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -161.8 146.11 9.8 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 107.545 -1.28 . . . . 10.0 107.545 -171.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -43.47 -46.97 9.58 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.257 2.638 . . . . 10.0 113.617 174.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.8 -35.09 63.5 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.689 -0.632 . . . . 10.0 111.851 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.11 61.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.009 0.524 . . . . 10.0 111.692 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.62 -25.65 27.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.379 0.536 . . . . 10.0 111.81 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -69.56 -21.57 63.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.32 127.27 32.04 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.138 -0.976 . . . . 10.0 109.777 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -43.84 -46.16 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.89 -38.04 75.09 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.152 -0.342 . . . . 10.0 110.511 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.1 tpp -76.83 -47.24 22.03 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 118.948 -0.549 . . . . 10.0 109.658 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -48.69 -45.04 38.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.283 0.947 . . . . 10.0 111.649 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -57.44 -44.23 84.56 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 122.25 -0.281 . . . . 10.0 111.083 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.41 -41.55 80.24 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.897 -0.502 . . . . 10.0 110.664 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.55 -50.36 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.4 -50.99 70.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.019 0.528 . . . . 10.0 110.864 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -51.84 -50.88 60.02 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.013 0.369 . . . . 10.0 111.061 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.36 90.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.059 -0.401 . . . . 10.0 110.544 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -55.21 -52.22 64.07 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.067 0.547 . . . . 10.0 110.395 174.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -54.04 -54.78 34.48 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.257 0.623 . . . . 10.0 110.935 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -44.64 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.128 -0.358 . . . . 10.0 110.321 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.87 -45.47 82.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.405 -0.809 . . . . 10.0 111.294 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.93 -53.0 39.22 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.716 -0.953 . . . . 10.0 110.716 173.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -50.97 -50.46 58.08 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.027 0.531 . . . . 10.0 110.507 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.1 mmt -57.41 -46.86 83.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 119.598 -0.239 . . . . 10.0 111.447 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.53 -48.63 71.73 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.811 0.445 . . . . 10.0 110.585 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.06 -27.21 61.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -73.81 -42.34 61.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.746 0.703 . . . . 10.0 112.252 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.51 115.91 10.23 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -65.17 -21.48 66.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.967 0.907 . . . . 10.0 112.76 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -154.59 150.06 27.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.327 -0.858 . . . . 10.0 109.394 -173.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -47.19 -46.2 23.68 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.634 1.174 . . . . 10.0 111.28 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.31 -47.6 65.87 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.478 0.711 . . . . 10.0 110.832 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -64.33 -48.37 75.85 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.418 ' CE2' HG11 ' A' ' 10' ' ' VAL . 71.7 t80 -50.26 -48.69 54.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.635 . . . . 10.0 111.596 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.35 -52.68 64.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.78 -0.575 . . . . 10.0 110.823 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -51.75 -63.67 1.06 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.724 0.41 . . . . 10.0 111.945 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.341 0.4 OUTLIER -64.06 -28.64 69.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.457 -0.777 . . . . 10.0 112.972 -175.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 mt -65.99 -53.99 31.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.983 1.265 . . . . 10.0 110.913 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.43 74.0 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.24 -45.43 91.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 10.0 110.957 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -55.75 -51.17 68.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.93 0.786 . . . . 10.0 110.127 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.1 mt -52.49 -53.19 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.843 0.354 . . . . 10.0 110.491 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -53.28 41.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.828 1.251 . . . . 10.0 109.501 -177.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -56.79 -52.56 64.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.33 0.652 . . . . 10.0 111.395 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.4 mt -49.85 -53.21 11.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 118.448 0.567 . . . . 10.0 109.855 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -59.79 -49.51 77.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.22 0.464 . . . . 10.0 111.52 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.88 -47.88 76.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.706 0.685 . . . . 10.0 111.926 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 . . . . . 0 CA--C 1.534 0.346 0 C-N-CA 123.342 0.657 . . . . 10.0 110.707 -177.031 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.543 0.211 . . . . 10.0 111.376 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -54.19 -47.61 71.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.478 0.711 . . . . 10.0 111.158 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -60.67 -59.07 5.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.29 -53.56 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 122.908 0.483 . . . . 10.0 110.151 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -70.58 -46.35 63.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.504 -0.76 . . . . 10.0 111.34 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.64 -46.79 88.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.334 0.97 . . . . 10.0 109.952 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.66 -54.3 39.74 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.793 0.837 . . . . 10.0 110.773 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.85 -52.95 63.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.243 0.544 . . . . 10.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.69 -42.38 88.41 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.509 1.124 . . . . 10.0 111.069 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.88 -53.15 53.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.298 0.639 . . . . 10.0 110.582 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.73 -50.43 72.46 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.7 mtt -51.13 -40.97 59.71 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.987 -0.445 . . . . 10.0 111.487 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -70.24 -9.66 56.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.519 1.128 . . . . 10.0 113.834 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 31.9 m -52.58 -43.77 65.49 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 120.097 1.317 . . . . 10.0 111.24 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.05 -45.61 79.2 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.198 -0.314 . . . . 10.0 111.349 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.528 0.106 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 178.686 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.55 -70.98 2.37 Favored Glycine 0 CA--C 1.525 0.68 0 O-C-N 120.142 -1.599 . . . . 10.0 110.045 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -53.97 -30.25 46.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.612 1.165 . . . . 10.0 111.454 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -42.83 -37.02 1.66 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.175 1.39 . . . . 10.0 112.649 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.17 -34.14 68.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.195 0.598 . . . . 10.0 112.095 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -74.95 -50.45 16.69 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.836 -0.801 . . . . 10.0 108.836 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -84.02 85.83 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.827 0.822 . . . . 10.0 110.289 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.0 p -76.15 162.12 28.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.628 1.571 . . . . 10.0 111.542 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -50.4 -38.58 43.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.147 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.41 -47.3 86.67 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.264 0.938 . . . . 10.0 110.492 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.78 -45.64 88.84 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.3 -47.04 62.7 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.493 0.588 . . . . 10.0 110.821 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -61.75 -46.51 89.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.077 1.351 . . . . 10.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.6 -34.4 76.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.539 -0.726 . . . . 10.0 110.983 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.27 -46.36 80.79 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 120.984 -1.072 . . . . 10.0 110.55 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -51.33 -47.6 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.09 -50.82 63.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 119.245 -0.407 . . . . 10.0 110.336 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmpm? -56.89 -40.31 76.0 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.868 0.758 . . . . 10.0 112.162 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.1 mt -54.05 -54.14 43.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 119.274 0.943 . . . . 10.0 109.262 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -53.19 -54.79 15.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 118.672 -0.68 . . . . 10.0 109.875 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -54.27 -49.39 69.68 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.024 0.829 . . . . 10.0 111.893 -177.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.81 0.444 . . . . 10.0 111.446 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.17 -32.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.457 0.703 . . . . 10.0 110.971 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -156.09 91.16 2.68 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.265 1.826 . . . . 10.0 108.816 -168.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.29 99.19 0.29 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.822 2.348 . . . . 10.0 110.651 -174.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.8 m -93.92 133.59 27.45 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 10.0 109.693 -170.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.15 -49.68 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.439 2.759 . . . . 10.0 113.65 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.78 141.97 19.72 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 117.749 -1.119 . . . . 10.0 109.342 -169.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -42.1 -44.03 7.39 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.512 2.808 . . . . 10.0 113.735 170.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -36.98 59.63 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.633 -0.667 . . . . 10.0 112.188 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -25.06 62.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.165 0.586 . . . . 10.0 111.454 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.59 -15.63 29.91 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.69 -14.91 60.37 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.47 147.88 51.8 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 0.933 . . . . 10.0 111.181 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -60.82 -48.7 80.6 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.642 0.777 . . . . 10.0 112.584 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -55.5 -47.26 76.47 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.403 -0.962 . . . . 10.0 108.403 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.9 mmm -64.03 -48.86 74.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.669 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.58 -44.05 65.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.34 0.973 . . . . 10.0 110.551 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -61.67 -49.52 76.19 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.873 -0.517 . . . . 10.0 111.115 175.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.87 -36.92 84.87 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.584 -0.697 . . . . 10.0 111.092 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.83 -50.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 10.0 108.646 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.1 -50.35 67.04 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.318 0.508 . . . . 10.0 110.51 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.08 -51.51 66.15 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.263 0.225 . . . . 10.0 111.054 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.45 83.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.575 0.75 . . . . 10.0 111.2 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -55.3 -54.14 47.31 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.281 0.632 . . . . 10.0 110.235 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -51.8 -56.96 10.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.058 0.543 . . . . 10.0 110.344 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -45.48 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.574 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -56.73 -45.67 81.8 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.419 -0.801 . . . . 10.0 110.896 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.31 -51.06 53.64 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 10.0 110.974 173.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -52.79 -49.88 64.71 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.422 -0.458 . . . . 10.0 110.643 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.8 mmt -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 119.502 -0.285 . . . . 10.0 111.347 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.42 -47.83 66.09 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.879 0.871 . . . . 10.0 110.067 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -69.13 -42.9 75.41 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -67.72 -38.32 83.41 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.43 109.27 6.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -169.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -48.35 -52.2 22.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.749 1.22 . . . . 10.0 112.498 170.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.1 t -121.57 163.11 19.44 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.438 1.495 . . . . 10.0 110.78 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.92 -37.71 69.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 10.0 109.686 169.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -54.93 -52.13 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.386 0.612 . . . . 10.0 109.937 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.81 -50.08 74.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.698 0.799 . . . . 10.0 108.906 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -51.13 -52.31 45.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.783 0.833 . . . . 10.0 111.63 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -55.95 -52.14 65.19 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.978 -0.452 . . . . 10.0 110.653 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -55.63 -62.35 1.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.354 0.3 OUTLIER -64.91 -27.83 69.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.765 0.711 . . . . 10.0 112.494 -174.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.04 -54.37 31.31 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.843 1.201 . . . . 10.0 110.712 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.63 74.68 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.084 -0.385 . . . . 10.0 110.649 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.67 -50.49 70.11 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 123.415 0.686 . . . . 10.0 110.328 174.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -54.71 -50.62 67.87 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.71 -0.619 . . . . 10.0 110.412 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.84 -55.02 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -54.7 15.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.629 1.172 . . . . 10.0 109.391 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.27 -48.22 81.14 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.262 0.625 . . . . 10.0 111.552 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.61 -48.77 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 119.923 1.238 . . . . 10.0 110.225 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -56.78 -48.36 78.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.826 -0.546 . . . . 10.0 111.043 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -64.95 -51.88 59.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.991 0.516 . . . . 10.0 112.115 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--N 1.33 -0.246 0 C-N-CA 124.963 1.305 . . . . 10.0 111.088 -172.134 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 . . . . . 0 CA--C 1.529 0.135 0 N-CA-C 112.357 0.502 . . . . 10.0 112.357 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -54.7 -45.13 73.94 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.894 0.477 . . . . 10.0 110.304 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.45 67.26 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.23 -0.655 . . . . 10.0 109.23 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.03 -54.48 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.766 0.826 . . . . 10.0 110.155 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -66.59 -51.45 56.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 119.39 -0.338 . . . . 10.0 110.76 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.92 -47.38 77.6 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.416 0.553 . . . . 10.0 110.412 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 42.5 tp -54.73 -50.72 67.67 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.076 0.95 . . . . 10.0 110.564 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.85 -54.71 43.04 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.21 0.529 . . . . 10.0 110.615 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.96 -38.3 90.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.547 1.139 . . . . 10.0 112.306 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.49 -54.78 10.6 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.705 0.684 . . . . 10.0 110.552 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -54.21 47.63 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -177.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.2 mtt -47.76 -46.15 29.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.69 0.796 . . . . 10.0 111.436 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 55.4 p -71.27 -9.69 58.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.817 1.043 . . . . 10.0 113.817 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.9 m -49.27 -35.98 19.34 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.287 0.847 . . . . 10.0 113.287 -169.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.78 -48.07 80.73 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.2 0.909 . . . . 10.0 111.918 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 . . . . . 0 C--O 1.233 0.205 0 C-N-CA 122.808 0.443 . . . . 10.0 110.351 177.099 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.958 0 N-CA-C 110.299 -1.121 . . . . 10.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.05 -73.52 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 117.638 0.719 . . . . 10.0 110.246 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -84.47 -22.94 30.11 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.209 0.818 . . . . 10.0 113.209 -169.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -145.2 152.26 39.71 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.957 1.303 . . . . 10.0 107.532 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.9 59.07 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 118.395 0.543 . . . . 10.0 112.158 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -80.73 -9.73 59.78 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.857 1.263 . . . . 10.0 114.158 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -39.77 -49.99 2.35 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.798 1.239 . . . . 10.0 114.299 -169.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -55.76 -22.09 22.28 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 -174.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -67.18 -28.53 68.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.509 0.595 . . . . 10.0 111.992 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.53 100.85 4.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.332 0.586 . . . . 10.0 111.588 -169.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -85.89 165.05 17.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.507 1.523 . . . . 10.0 111.157 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -45.86 -42.38 12.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.657 1.983 . . . . 10.0 112.095 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.43 -46.43 90.14 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.76 -0.588 . . . . 10.0 110.77 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.19 -42.14 89.27 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -53.13 -46.45 68.78 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.092 0.405 . . . . 10.0 110.275 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.0 m -59.53 -49.13 78.98 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.156 0.982 . . . . 10.0 110.654 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -61.94 -40.39 95.38 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.826 -0.546 . . . . 10.0 110.759 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.03 -45.62 91.4 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.587 -0.696 . . . . 10.0 110.932 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.5 t -52.38 -47.0 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.442 -0.786 . . . . 10.0 109.773 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -56.25 -50.01 72.55 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.663 -0.648 . . . . 10.0 110.724 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -49.87 -47.07 52.11 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 118.727 -0.654 . . . . 10.0 111.152 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -52.98 -55.92 19.95 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.932 0.787 . . . . 10.0 109.988 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -53.24 -55.51 12.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.606 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -65.26 -36.12 83.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.084 1.311 . . . . 10.0 112.797 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.92 84.97 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.658 -0.651 . . . . 10.0 111.13 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.53 -54.22 17.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -133.93 93.25 20.68 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 127.761 2.424 . . . . 10.0 109.849 -169.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.5 81.43 0.42 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 123.443 2.762 . . . . 10.0 109.914 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.4 m -59.87 124.9 78.84 Favored Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 125.272 1.429 . . . . 10.0 111.037 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.94 -50.66 11.34 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.69 3.593 . . . . 10.0 114.5 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -143.43 134.8 12.71 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-O 117.819 -1.086 . . . . 10.0 109.13 -173.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -42.21 -44.44 7.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.804 3.003 . . . . 10.0 113.86 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.767 -0.583 . . . . 10.0 112.052 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.63 58.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.191 0.596 . . . . 10.0 111.559 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.9 mt -57.19 -22.04 37.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.186 0.594 . . . . 10.0 112.338 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -62.54 -28.1 69.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.478 0.581 . . . . 10.0 112.261 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.08 137.21 57.54 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.901 0.773 . . . . 10.0 110.55 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -50.06 -40.43 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.002 0.921 . . . . 10.0 112.62 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -53.55 -49.62 67.25 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 10.0 109.723 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.9 mmm -69.51 -44.06 71.82 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 118.908 -0.568 . . . . 10.0 109.812 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -49.19 -44.4 43.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.671 0.669 . . . . 10.0 110.624 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -59.95 -46.14 90.36 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.148 -0.345 . . . . 10.0 111.317 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.68 -40.53 95.56 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.736 -0.603 . . . . 10.0 110.911 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.15 -52.22 61.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 124.426 1.09 . . . . 10.0 108.853 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.75 -49.01 74.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.169 0.588 . . . . 10.0 110.928 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -52.0 -54.5 29.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.91 0.484 . . . . 10.0 110.273 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.32 86.04 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.225 0.61 . . . . 10.0 111.115 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.28 -53.99 50.69 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.076 0.398 . . . . 10.0 110.395 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -52.3 -55.59 20.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.788 0.835 . . . . 10.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.14 -51.6 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.142 0.977 . . . . 10.0 110.405 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -55.45 -48.95 73.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.115 0.87 . . . . 10.0 111.168 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.82 -54.23 32.05 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.58 -50.22 54.34 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.456 0.703 . . . . 10.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.8 mmt -59.24 -45.5 90.99 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 119.083 -0.484 . . . . 10.0 111.374 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.27 -51.89 60.81 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.357 0.526 . . . . 10.0 110.137 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.73 -32.75 72.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 m -69.86 -42.4 73.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.769 -0.582 . . . . 10.0 112.029 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.26 113.23 5.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.106 0.962 . . . . 10.0 113.023 -169.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -61.49 -23.03 65.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.07 0.948 . . . . 10.0 113.041 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 m -154.55 151.3 28.71 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.16 -0.962 . . . . 10.0 109.884 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -53.73 -51.01 64.68 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.705 0.764 . . . . 10.0 111.402 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.12 -44.68 21.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.042 0.537 . . . . 10.0 111.927 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.24 -48.32 76.26 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -49.34 -48.42 46.61 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.556 0.742 . . . . 10.0 111.317 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -60.52 -52.58 64.57 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.598 -0.689 . . . . 10.0 111.505 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -52.7 -64.36 0.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.165 0.586 . . . . 10.0 111.544 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.3 OUTLIER -63.0 -28.24 69.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.792 0.724 . . . . 10.0 112.824 -175.282 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.54 -58.18 7.81 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.716 1.144 . . . . 10.0 110.697 170.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.49 -44.46 76.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.912 -0.492 . . . . 10.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -55.95 -50.84 69.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.513 0.725 . . . . 10.0 110.231 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -55.57 -49.77 71.84 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.384 0.538 . . . . 10.0 110.696 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.2 mt -51.88 -51.16 30.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.429 ' CE1' HD23 ' B' ' 95' ' ' LEU . 5.4 t80 -56.08 -50.33 71.32 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 -177.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -53.89 -49.49 68.44 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.963 -0.541 . . . . 10.0 111.184 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -51.14 -56.32 5.21 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 118.74 0.7 . . . . 10.0 109.79 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -65.43 -41.15 93.84 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 118.78 -1.168 . . . . 10.0 111.893 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -57.57 -47.8 81.1 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 120.488 -1.382 . . . . 10.0 110.636 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.01 -65.31 0.82 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.232 1.013 . . . . 10.0 111.094 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.1 tp -82.26 -12.81 57.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.468 1.907 . . . . 10.0 114.347 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 8.95 85.22 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 128.787 2.835 . . . . 10.0 114.222 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -114.37 -26.58 7.92 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 117.592 -1.194 . . . . 10.0 112.838 -174.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -17.07 -75.05 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.49 1.916 . . . . 10.0 114.879 -169.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -73.25 -32.42 64.7 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.528 -0.733 . . . . 10.0 112.243 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -67.68 -43.05 81.1 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.675 0.79 . . . . 10.0 110.776 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 p 0.1 -71.16 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 130.026 3.33 . . . . 10.0 114.978 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -30.32 -55.27 0.19 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.224 1.81 . . . . 10.0 112.837 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.2 tp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.258 -1.353 . . . . 10.0 110.093 177.149 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -47.53 5.47 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.603 1.161 . . . . 10.0 113.343 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.0 -45.61 82.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.216 0.606 . . . . 10.0 110.276 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.56 -44.86 89.42 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.6 mm -51.75 -57.65 3.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.657 0.742 . . . . 10.0 109.216 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpp? -66.75 -38.8 87.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.277 -0.874 . . . . 10.0 111.274 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -59.82 -54.85 41.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.613 1.097 . . . . 10.0 110.864 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 73' ' ' TYR . 26.6 tp -58.21 -43.34 87.61 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.234 -0.291 . . . . 10.0 110.405 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.15 -55.98 23.32 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.293 0.568 . . . . 10.0 110.97 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.1 tp -58.75 -38.06 77.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 125.195 1.398 . . . . 10.0 111.514 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 56.1 tp -45.51 -49.39 13.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.544 0.738 . . . . 10.0 110.695 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -68.15 -52.16 37.81 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.4 mtt -56.83 -36.29 69.81 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.493 0.717 . . . . 10.0 112.798 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 96.3 p -55.03 -46.35 75.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.776 0.83 . . . . 10.0 112.156 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -24.54 -69.5 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.51 2.324 . . . . 10.0 115.595 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.22 -38.87 71.61 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.787 -0.57 . . . . 10.0 111.852 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -63.95 -49.79 71.18 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.968 0.907 . . . . 10.0 108.82 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -54.68 -52.61 61.81 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.662 0.385 . . . . 10.0 110.141 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.23 -55.01 36.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.087 0.555 . . . . 10.0 111.009 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -63.86 -33.03 74.79 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.669 0.668 . . . . 10.0 111.035 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.87 -53.73 43.89 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.636 -0.986 . . . . 10.0 110.636 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.11 54.26 1.6 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.162 0.985 . . . . 10.0 110.276 -177.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -80.3 59.35 3.38 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.191 -0.943 . . . . 10.0 110.078 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -135.21 -61.04 0.75 Allowed 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.147 0.579 . . . . 10.0 112.236 -175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.872 -1.061 . . . . 10.0 112.457 -174.265 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 0 N-CA-C 111.829 -0.509 . . . . 10.0 111.829 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.13 60.94 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.048 0.939 . . . . 10.0 111.475 -176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -49.26 -44.92 44.18 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.344 1.457 . . . . 10.0 114.206 -170.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -97.61 5.64 49.16 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.87 0.868 . . . . 10.0 112.087 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -74.58 0.54 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -56.18 -23.11 33.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.512 1.525 . . . . 10.0 112.131 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.21 -33.18 5.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.165 1.386 . . . . 10.0 111.902 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.88 -28.46 36.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.802 0.841 . . . . 10.0 112.187 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -85.43 -57.42 3.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.806 0.842 . . . . 10.0 109.706 172.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.19 87.88 2.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.405 -169.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.9 p -80.89 166.41 20.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.462 1.505 . . . . 10.0 111.925 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -47.13 -43.91 21.12 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.852 2.061 . . . . 10.0 111.644 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -53.75 -54.72 34.2 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.347 0.659 . . . . 10.0 110.793 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.26 -41.79 96.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtt180 -53.79 -51.12 64.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.251 0.478 . . . . 10.0 110.309 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.5 t -60.09 -49.21 78.56 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.657 0.783 . . . . 10.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -61.05 -41.44 96.61 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.759 -0.588 . . . . 10.0 110.072 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.66 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.995 -1.066 . . . . 10.0 111.221 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.1 t -49.02 -50.05 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.806 0.73 . . . . 10.0 109.668 173.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -52.72 -51.11 61.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.017 -0.516 . . . . 10.0 110.924 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -56.76 -37.81 71.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.272 0.942 . . . . 10.0 112.355 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.08 -53.68 55.47 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 119.648 1.113 . . . . 10.0 109.506 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.2 t -52.08 -52.47 23.65 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-O 118.534 -0.746 . . . . 10.0 109.973 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -57.39 -50.96 71.31 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.163 0.892 . . . . 10.0 111.33 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.88 81.95 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.802 -0.561 . . . . 10.0 111.648 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.56 -41.76 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 122.896 0.478 . . . . 10.0 110.687 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -151.92 90.42 3.88 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 125.999 1.719 . . . . 10.0 110.049 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.05 121.29 9.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.435 2.09 . . . . 10.0 110.695 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.8 p -81.55 124.11 80.3 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 117.675 -1.155 . . . . 10.0 110.416 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.85 -39.03 31.45 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 123.516 2.811 . . . . 10.0 113.529 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -146.46 136.04 11.65 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -45.79 -42.37 19.65 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.266 2.644 . . . . 10.0 112.907 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.31 -24.84 20.74 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.678 -0.639 . . . . 10.0 112.641 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.12 67.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.814 -0.554 . . . . 10.0 112.221 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.0 mt -47.61 -38.0 13.71 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.117 0.967 . . . . 10.0 112.931 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -77.48 -5.86 51.43 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.91 143.8 57.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.315 0.961 . . . . 10.0 111.552 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -40.99 -43.25 2.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.756 1.622 . . . . 10.0 113.479 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -70.57 -58.0 4.15 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -52.99 -42.1 65.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.381 1.072 . . . . 10.0 112.103 -175.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -46.0 -37.0 6.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.862 0.865 . . . . 10.0 112.579 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -65.06 -49.11 71.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.325 0.583 . . . . 10.0 110.516 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.92 -41.6 95.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.179 0.592 . . . . 10.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.8 -51.73 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.251 0.621 . . . . 10.0 109.523 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.88 75.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.805 0.442 . . . . 10.0 110.778 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -54.91 -51.28 66.53 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.71 0.232 . . . . 10.0 110.622 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.21 83.11 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.986 0.515 . . . . 10.0 111.052 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -54.72 -54.42 42.15 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -53.31 -54.18 40.22 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.408 0.683 . . . . 10.0 110.471 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -46.36 96.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 122.8 0.44 . . . . 10.0 110.44 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -56.47 -46.32 80.48 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.761 0.709 . . . . 10.0 110.609 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.84 -53.7 35.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.096 -0.802 . . . . 10.0 111.096 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -50.59 -50.67 53.21 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.91 0.884 . . . . 10.0 110.533 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.44 -46.15 91.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.169 -0.443 . . . . 10.0 111.085 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -53.42 -50.49 65.09 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.429 0.559 . . . . 10.0 110.211 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.72 -41.7 95.79 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.395 0.278 . . . . 10.0 111.624 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 m -66.22 -35.47 80.53 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.59 108.18 4.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -169.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -54.97 -34.79 63.63 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.369 1.067 . . . . 10.0 112.456 169.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -141.85 162.5 35.32 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.488 1.115 . . . . 10.0 109.918 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -57.61 -44.5 85.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.103 0.561 . . . . 10.0 110.125 169.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -50.59 -53.09 33.33 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.897 0.479 . . . . 10.0 110.513 173.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -55.84 -53.45 56.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.13 -50.97 26.8 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.565 1.146 . . . . 10.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -60.5 -52.01 67.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.852 -0.53 . . . . 10.0 111.07 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -53.23 -62.27 1.76 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.671 0.388 . . . . 10.0 111.971 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -65.31 -29.02 69.73 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.699 -0.667 . . . . 10.0 112.761 -175.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.3 mt -66.05 -53.98 31.6 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.94 1.246 . . . . 10.0 110.991 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.77 78.07 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.915 -0.491 . . . . 10.0 109.995 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.65 -44.25 90.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.213 0.605 . . . . 10.0 110.931 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -56.42 -52.89 62.96 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.83 0.741 . . . . 10.0 110.49 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.4 mt -51.46 -54.25 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.133 0.492 . . . . 10.0 110.111 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -51.48 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.769 1.228 . . . . 10.0 109.271 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mmpp? -52.25 -51.89 55.75 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.802 -1.094 . . . . 10.0 111.087 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -54.42 -56.84 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 120.653 1.569 . . . . 10.0 109.548 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.55 -27.08 62.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 10.0 112.685 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -79.4 -69.85 0.55 Allowed 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.333 -0.854 . . . . 10.0 110.207 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -46.84 -48.62 20.88 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 127.209 2.204 . . . . 10.0 112.455 -173.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.81 -62.9 1.28 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -51.66 -45.63 63.47 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.493 0.717 . . . . 10.0 111.665 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -81.21 -0.29 39.9 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.296 0.851 . . . . 10.0 113.296 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -46.17 -45.03 16.47 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.138 0.975 . . . . 10.0 111.569 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -47.59 -45.26 27.19 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.751 1.221 . . . . 10.0 111.486 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -73.71 -44.26 56.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.001 0.521 . . . . 10.0 109.779 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -53.09 -34.49 56.85 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -30.24 45.1 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 173.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.302 -1.332 . . . . 10.0 109.61 -176.617 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -46.49 4.99 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.082 0.953 . . . . 10.0 112.858 172.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -53.3 57.7 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.799 0.84 . . . . 10.0 108.851 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -56.08 -49.95 72.38 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 125.455 1.502 . . . . 10.0 109.291 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.52 -51.2 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.67 -48.59 68.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.295 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -60.93 -41.52 96.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.489 1.04 . . . . 10.0 110.863 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.19 -54.03 50.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.184 0.593 . . . . 10.0 110.389 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.04 -52.57 65.17 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.449 0.642 . . . . 10.0 110.124 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.12 -43.86 91.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.407 1.483 . . . . 10.0 111.215 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.1 tp -49.62 -55.18 14.55 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.339 0.656 . . . . 10.0 110.96 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.5 -52.7 63.43 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.0 mtt -49.51 -39.31 33.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.705 0.802 . . . . 10.0 112.327 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -68.64 -11.32 59.95 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.308 -0.87 . . . . 10.0 112.888 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 20.8 m -60.21 -48.31 82.26 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.764 1.166 . . . . 10.0 110.16 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.53 -43.03 99.81 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.715 -0.616 . . . . 10.0 110.33 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.67 -36.65 57.39 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.024 0.375 . . . . 10.0 110.689 177.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.86 -56.7 4.64 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.268 1.027 . . . . 10.0 111.539 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.32 -32.03 26.53 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 116.545 2.054 . . . . 10.0 116.545 -168.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -57.42 -39.27 75.85 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.928 1.455 . . . . 10.0 114.928 -168.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.81 -75.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.196 0.903 . . . . 10.0 112.001 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -119.63 -16.04 8.88 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.487 1.515 . . . . 10.0 111.9 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.16 73.61 1.76 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.478 1.035 . . . . 10.0 110.919 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.8 147.72 45.46 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.608 -0.683 . . . . 10.0 111.05 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.602 -1.666 . . . . 10.0 112.201 -179.72 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 112.071 -0.412 . . . . 10.0 112.071 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.51 47.81 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.706 1.202 . . . . 10.0 113.187 -171.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -45.44 -43.49 11.45 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.535 1.534 . . . . 10.0 114.537 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -96.22 6.18 49.39 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.427 0.691 . . . . 10.0 112.283 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.11 -72.99 0.9 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 120.97 -1.081 . . . . 10.0 110.999 -171.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -50.19 -36.43 30.5 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.166 1.386 . . . . 10.0 112.207 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -35.5 -43.43 0.26 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.794 2.037 . . . . 10.0 111.844 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.41 -36.59 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.065 0.946 . . . . 10.0 112.993 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.71 -44.79 55.45 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.554 0.692 . . . . 10.0 109.496 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.16 87.87 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 121.794 0.807 . . . . 10.0 109.714 -173.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.6 p -69.59 166.0 19.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.651 1.18 . . . . 10.0 112.198 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -50.86 -39.87 54.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.531 -1.213 . . . . 10.0 111.266 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.94 -51.03 71.33 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.507 0.594 . . . . 10.0 110.288 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.52 -44.53 94.03 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 119.185 -0.436 . . . . 10.0 110.206 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -49.84 -53.48 25.3 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.861 0.755 . . . . 10.0 110.682 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 m -58.35 -44.41 88.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.425 1.49 . . . . 10.0 110.712 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.01 -44.7 91.8 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.867 -0.521 . . . . 10.0 110.754 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.84 -45.17 93.86 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.31 -0.869 . . . . 10.0 110.96 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 t -49.68 -48.43 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.679 0.792 . . . . 10.0 109.847 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -56.04 -51.05 69.19 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.609 -0.682 . . . . 10.0 110.966 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -50.84 -43.94 59.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.743 0.701 . . . . 10.0 111.871 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.25 -52.12 66.6 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.028 0.831 . . . . 10.0 110.671 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -53.23 -48.84 54.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.747 0.703 . . . . 10.0 110.262 176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.4 -44.52 89.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.483 0.583 . . . . 10.0 111.311 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.07 99.73 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.639 -0.663 . . . . 10.0 111.686 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.42 -39.24 83.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.638 0.775 . . . . 10.0 110.482 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -165.81 94.42 0.82 Allowed Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 10.0 110.123 -168.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.48 105.5 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.296 2.664 . . . . 10.0 111.037 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 m -76.24 122.52 86.94 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.792 1.237 . . . . 10.0 110.838 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -48.37 -56.94 2.67 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.345 3.363 . . . . 10.0 113.702 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -134.3 126.98 18.69 Favored Pre-proline 0 N--CA 1.45 -0.438 0 C-N-CA 124.652 1.181 . . . . 10.0 108.251 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -42.34 -42.54 7.79 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 124.334 3.356 . . . . 10.0 114.015 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.28 -35.36 12.02 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.922 0.712 . . . . 10.0 112.922 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.43 49.51 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.645 0.778 . . . . 10.0 112.313 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -54.28 -24.81 20.34 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.447 0.699 . . . . 10.0 111.914 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.37 -12.8 61.83 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.62 143.48 28.41 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.6 1.091 . . . . 10.0 112.134 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -51.01 -39.5 55.94 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.832 1.653 . . . . 10.0 112.637 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.99 -57.41 13.22 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mmm -60.01 -38.48 82.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.784 -0.572 . . . . 10.0 111.108 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -49.37 -35.92 20.19 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.664 0.785 . . . . 10.0 111.853 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.86 -45.16 79.01 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.806 -0.559 . . . . 10.0 110.997 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.24 -46.05 88.71 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.797 -0.565 . . . . 10.0 109.644 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.76 -50.55 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.926 0.89 . . . . 10.0 109.902 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.24 74.31 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.225 0.61 . . . . 10.0 111.07 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.0 -51.52 56.79 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.768 0.427 . . . . 10.0 110.289 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.91 84.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.169 0.587 . . . . 10.0 111.832 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -55.19 -52.34 63.66 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.502 0.721 . . . . 10.0 110.234 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.18 -59.24 4.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.824 0.85 . . . . 10.0 110.171 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -46.74 93.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.231 -172.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -57.76 -42.21 83.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.357 -0.839 . . . . 10.0 110.435 173.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.96 -55.64 20.18 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.391 -1.084 . . . . 10.0 110.391 171.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.27 -47.74 62.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.323 0.561 . . . . 10.0 111.313 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.0 mmt -60.94 -47.83 84.64 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 122.127 -0.358 . . . . 10.0 111.607 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.13 -39.92 76.1 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.983 1.313 . . . . 10.0 110.749 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.7 -47.04 64.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.847 0.859 . . . . 10.0 111.525 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -72.95 -29.88 63.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.556 0.947 . . . . 10.0 113.556 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.18 117.23 16.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 122.17 0.986 . . . . 10.0 112.9 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -82.8 -12.42 57.5 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.657 1.183 . . . . 10.0 112.041 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.6 t -150.68 161.87 41.77 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.241 1.016 . . . . 10.0 108.662 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.85 -41.75 92.1 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.704 1.202 . . . . 10.0 110.078 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -54.14 -47.68 71.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.593 0.357 . . . . 10.0 111.386 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -60.06 -52.58 64.75 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -46.92 -51.32 17.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.88 0.872 . . . . 10.0 111.914 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.57 -48.6 76.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.796 -0.565 . . . . 10.0 111.618 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -53.72 -60.93 2.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.414 0.552 . . . . 10.0 112.06 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.355 0.4 OUTLIER -66.87 -30.03 70.09 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.888 0.767 . . . . 10.0 112.59 -174.703 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.07 -50.52 65.83 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.737 1.153 . . . . 10.0 111.223 170.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -48.81 76.03 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.929 -0.482 . . . . 10.0 110.067 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.89 -46.13 74.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.317 1.047 . . . . 10.0 111.054 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -57.36 -52.88 63.56 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.684 0.675 . . . . 10.0 110.344 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.1 mt -51.64 -53.31 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.874 -0.516 . . . . 10.0 110.869 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -51.36 57.97 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.013 1.325 . . . . 10.0 109.387 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -56.19 -51.27 68.65 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.962 0.905 . . . . 10.0 111.553 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -52.99 -55.88 10.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 119.682 1.128 . . . . 10.0 109.632 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.12 -34.76 73.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -70.55 -52.22 23.15 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.202 0.91 . . . . 10.0 111.24 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -71.0 -54.36 11.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.119 1.368 . . . . 10.0 111.123 -172.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 mp -80.35 -28.45 38.06 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.706 0.803 . . . . 10.0 112.685 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 23.13 -86.62 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 128.263 2.625 . . . . 10.0 115.976 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.9 pm0 -70.36 57.07 0.17 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.362 1.616 . . . . 10.0 115.362 -169.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -78.18 -67.7 0.71 Allowed 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 120.49 -1.381 . . . . 10.0 111.029 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -60.03 -26.59 66.23 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.413 -0.804 . . . . 10.0 112.411 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.8 mtm-85 -87.16 -8.57 56.79 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t -158.7 -77.66 0.07 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.041 0.837 . . . . 10.0 111.254 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.2 mtm105 -80.8 65.91 6.12 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.588 -0.695 . . . . 10.0 111.231 -171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.398 -1.287 . . . . 10.0 112.363 -176.283 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.536 0.207 . . . . 10.0 111.237 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -49.14 1.8 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.129 1.372 . . . . 10.0 114.377 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -59.04 -45.05 91.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.117 0.567 . . . . 10.0 110.705 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -62.3 -46.17 89.94 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.23 -51.03 59.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.924 0.489 . . . . 10.0 110.651 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -66.93 -49.78 64.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.791 -0.568 . . . . 10.0 111.125 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -53.09 -47.97 68.12 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.287 0.494 . . . . 10.0 110.528 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.69 -53.46 58.1 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.63 0.772 . . . . 10.0 111.209 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.06 -49.36 78.16 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.108 0.48 . . . . 10.0 109.929 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.29 -43.36 96.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.428 1.091 . . . . 10.0 111.67 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.63 -48.51 63.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.268 0.627 . . . . 10.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.32 -54.08 38.77 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.8 mtt -47.47 -44.77 25.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.893 0.877 . . . . 10.0 111.621 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t -63.85 -9.61 15.92 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.172 1.389 . . . . 10.0 113.633 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 61.0 m -55.53 -31.81 62.41 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 119.935 1.243 . . . . 10.0 112.017 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -47.03 -44.27 20.4 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.863 0.756 . . . . 10.0 111.08 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.32 -47.12 14.99 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.559 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -63.22 -29.31 70.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.727 0.694 . . . . 10.0 111.948 -172.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 50.4 tp -53.4 -40.07 64.8 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.111 0.964 . . . . 10.0 110.533 170.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -79.47 -57.31 3.76 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.43 -0.952 . . . . 10.0 108.43 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -74.7 59.63 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.345 1.45 . . . . 10.0 111.549 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.87 75.27 0.62 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.058 1.743 . . . . 10.0 111.928 -171.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 67.95 0.4 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.405 1.082 . . . . 10.0 113.388 -175.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.67 64.26 0.9 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.928 1.291 . . . . 10.0 111.806 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.252 1.227 0 CA-C-O 117.519 -1.229 . . . . 10.0 111.258 177.917 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.229 0 N-CA-C 111.339 -0.705 . . . . 10.0 111.339 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.8 m -76.47 57.0 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 124.432 1.093 . . . . 10.0 111.326 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -38.09 -57.59 1.05 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.983 2.113 . . . . 10.0 113.845 -169.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -94.48 9.63 37.72 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.385 0.674 . . . . 10.0 112.283 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.3 -76.53 0.48 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 109.917 -1.273 . . . . 10.0 109.917 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -50.54 -34.96 27.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.861 1.264 . . . . 10.0 111.021 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -32.15 -45.08 0.1 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.675 2.39 . . . . 10.0 112.083 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -50.11 -37.44 34.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.634 0.774 . . . . 10.0 112.616 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -78.23 -52.74 8.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.947 0.88 . . . . 10.0 109.336 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.15 77.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-O 122.823 1.297 . . . . 10.0 109.7 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.2 p -75.1 162.93 28.09 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.647 1.979 . . . . 10.0 110.343 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -50.11 -36.92 31.66 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.376 0.671 . . . . 10.0 112.092 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.95 -48.18 80.71 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.365 0.984 . . . . 10.0 110.851 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.86 -43.44 83.56 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -51.63 -48.54 63.29 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.633 0.651 . . . . 10.0 110.643 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.5 m -59.82 -47.28 86.34 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.648 1.579 . . . . 10.0 110.8 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -58.68 -45.42 89.47 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.986 -0.446 . . . . 10.0 109.898 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.02 -45.53 91.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.256 -0.902 . . . . 10.0 111.238 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.7 t -50.96 -50.03 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.529 -0.732 . . . . 10.0 110.239 170.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -54.79 -48.68 72.4 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.632 -0.667 . . . . 10.0 110.186 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -56.02 -41.22 74.6 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-O 118.354 -0.832 . . . . 10.0 112.3 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.96 -54.05 47.77 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.805 1.184 . . . . 10.0 108.954 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -53.55 -52.88 29.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 CA-C-O 118.271 -0.871 . . . . 10.0 110.099 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -58.35 -51.78 68.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.519 1.054 . . . . 10.0 112.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.22 82.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.2 0.6 . . . . 10.0 111.066 -172.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.37 -51.54 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 109.95 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -141.27 90.64 9.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 127.465 2.306 . . . . 10.0 110.667 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.71 123.82 14.62 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.498 2.132 . . . . 10.0 110.843 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.8 p -91.92 119.99 68.1 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 117.835 -1.078 . . . . 10.0 110.256 -175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -49.12 -40.57 41.85 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.531 2.82 . . . . 10.0 113.938 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.16 134.46 11.31 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 117.8 -1.095 . . . . 10.0 108.736 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.42 -42.67 13.91 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.592 2.861 . . . . 10.0 113.577 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.8 52.29 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.513 -0.742 . . . . 10.0 112.033 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -26.09 51.79 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.263 0.625 . . . . 10.0 111.758 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -52.66 -26.73 14.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.254 0.622 . . . . 10.0 112.22 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -67.66 -21.87 65.33 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.52 133.55 55.84 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.404 -0.81 . . . . 10.0 110.215 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -47.37 -43.95 23.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.228 1.011 . . . . 10.0 113.409 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.6 96.29 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.496 -0.752 . . . . 10.0 109.757 177.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.65 -44.11 94.79 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.618 -0.706 . . . . 10.0 110.086 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.2 -41.6 68.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.418 1.008 . . . . 10.0 110.824 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -61.19 -48.8 79.89 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.792 -0.568 . . . . 10.0 111.617 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.79 -40.89 96.81 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.64 -51.04 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.658 1.583 . . . . 10.0 109.017 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.82 76.12 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.192 0.451 . . . . 10.0 110.85 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.06 -51.81 65.16 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.29 0.236 . . . . 10.0 110.4 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.38 80.54 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.241 0.617 . . . . 10.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.14 -54.11 50.47 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.094 0.558 . . . . 10.0 110.438 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -52.88 -54.18 38.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.508 0.723 . . . . 10.0 110.326 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -46.42 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.465 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.3 -43.08 74.49 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.405 1.002 . . . . 10.0 110.857 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.02 -54.66 27.79 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.02 -47.64 64.91 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.77 0.428 . . . . 10.0 110.851 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.17 -47.76 84.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.834 0.454 . . . . 10.0 111.304 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -53.04 -44.67 67.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.433 1.093 . . . . 10.0 110.101 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.92 -41.5 64.5 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.903 0.705 . . . . 10.0 112.903 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -65.17 -41.77 94.31 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.447 -0.783 . . . . 10.0 111.279 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.55 99.01 7.86 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.518 0.727 . . . . 10.0 112.324 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.73 37.26 0.23 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.48 -1.388 . . . . 10.0 111.774 172.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -173.84 152.15 1.94 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.772 1.629 . . . . 10.0 108.837 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -59.56 -42.51 92.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.515 0.726 . . . . 10.0 110.061 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.29 -57.22 11.31 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.363 1.065 . . . . 10.0 109.729 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -56.94 -48.4 78.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.82 -51.03 59.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.936 0.494 . . . . 10.0 111.817 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -58.36 -50.63 72.98 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.883 -0.511 . . . . 10.0 110.752 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -52.6 -61.97 1.94 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.337 0.5 OUTLIER -66.15 -28.79 69.05 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.004 0.82 . . . . 10.0 112.81 -174.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.0 mt -64.48 -53.03 54.52 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.772 1.169 . . . . 10.0 110.235 171.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.11 79.15 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.03 -0.419 . . . . 10.0 110.392 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.3 -44.96 84.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.469 0.708 . . . . 10.0 110.815 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -56.93 -52.52 64.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.37 0.532 . . . . 10.0 110.235 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.13 -54.74 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 121.325 0.583 . . . . 10.0 110.148 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -54.59 21.31 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.353 1.461 . . . . 10.0 109.186 -177.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.61 -52.77 64.06 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.134 0.973 . . . . 10.0 110.77 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -47.89 -59.91 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 119.615 1.098 . . . . 10.0 109.147 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -52.39 -55.09 24.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.762 -0.375 . . . . 10.0 111.156 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -58.17 -61.58 2.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.293 0.637 . . . . 10.0 112.688 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -51.64 -55.01 21.85 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.836 1.255 . . . . 10.0 109.75 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.83 -42.02 99.56 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.666 0.786 . . . . 10.0 110.065 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.49 -66.22 0.55 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.968 0.507 . . . . 10.0 110.124 175.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.24 -45.6 90.82 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.652 1.181 . . . . 10.0 112.407 -169.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.55 -44.69 11.08 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 117.986 0.357 . . . . 10.0 111.961 -173.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.3 ttt-85 -96.37 -73.9 0.58 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.45 0.568 . . . . 10.0 110.493 -171.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -56.44 -35.87 68.36 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.068 0.947 . . . . 10.0 111.899 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.1 t -41.17 -47.56 3.3 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.1 1.36 . . . . 10.0 111.636 170.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -83.66 -58.33 2.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.448 1.499 . . . . 10.0 108.921 -179.525 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 111.15 0.056 . . . . 10.0 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -43.4 -54.37 4.78 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.996 1.318 . . . . 10.0 113.356 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.54 -39.92 92.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.55 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -48.76 78.79 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.76 -53.03 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.253 0.621 . . . . 10.0 110.005 174.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.41 -51.26 64.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.218 -0.42 . . . . 10.0 110.979 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -52.7 -49.32 65.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.419 0.554 . . . . 10.0 110.429 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.22 -50.21 73.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.082 0.953 . . . . 10.0 110.881 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.19 -53.35 59.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.618 0.723 . . . . 10.0 110.225 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.18 -40.73 82.25 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.026 1.33 . . . . 10.0 111.862 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.9 tp -47.8 -49.8 27.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.953 0.901 . . . . 10.0 111.002 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.04 -51.0 43.53 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 64.0 mtt -52.44 -38.57 59.53 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.571 -0.706 . . . . 10.0 112.127 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -62.3 -9.96 9.59 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -56.48 -34.42 66.9 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.681 1.128 . . . . 10.0 112.055 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.07 -53.76 48.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.703 1.138 . . . . 10.0 110.391 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.91 -50.21 74.88 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.18 0.992 . . . . 10.0 109.7 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.67 -48.67 80.28 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.353 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 tp -57.78 -55.14 38.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.393 1.477 . . . . 10.0 110.275 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -64.46 -36.22 83.47 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.264 -0.574 . . . . 10.0 111.149 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.15 -58.64 12.57 Favored Glycine 0 CA--C 1.532 1.149 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 172.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -45.57 -48.89 14.41 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.675 1.59 . . . . 10.0 110.835 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.93 34.96 1.79 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.385 1.074 . . . . 10.0 111.042 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.43 90.97 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.551 -0.718 . . . . 10.0 110.433 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 60.6 tp . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.019 -1.467 . . . . 10.0 109.365 173.033 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 N-CA-C 111.485 -0.646 . . . . 10.0 111.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.2 m -73.71 56.94 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.747 1.219 . . . . 10.0 112.816 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.6 111.78 14.74 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.26 1.424 . . . . 10.0 107.965 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -142.13 7.3 1.79 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.622 0.769 . . . . 10.0 112.703 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.9 -63.71 3.78 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.003 -1.639 . . . . 10.0 109.003 -170.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -62.15 -26.52 68.37 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.867 0.467 . . . . 10.0 111.681 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -43.78 -46.96 7.95 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.789 1.236 . . . . 10.0 112.066 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.74 -29.3 64.64 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.743 0.817 . . . . 10.0 112.383 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -75.85 -14.93 60.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.745 0.818 . . . . 10.0 111.3 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -129.62 84.04 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.848 1.259 . . . . 10.0 108.433 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -74.17 165.46 25.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.512 1.125 . . . . 10.0 111.535 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -49.46 -39.67 34.2 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.906 -1.043 . . . . 10.0 111.992 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.09 -47.16 86.27 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.365 0.984 . . . . 10.0 110.642 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.94 -43.97 86.43 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -51.84 -48.25 64.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.337 0.517 . . . . 10.0 110.784 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 61.5 m -63.31 -45.92 89.11 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.109 1.363 . . . . 10.0 110.674 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -67.61 -32.55 73.35 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.457 -0.777 . . . . 10.0 110.698 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.63 -43.51 89.28 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 120.616 -1.303 . . . . 10.0 110.814 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -51.34 -48.11 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -53.37 -51.55 62.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.098 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -53.22 -43.23 67.09 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.506 0.593 . . . . 10.0 111.571 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 mt -57.28 -53.2 60.81 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 119.161 0.892 . . . . 10.0 110.206 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.59 -49.16 34.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.503 -0.76 . . . . 10.0 109.729 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -62.51 -46.23 89.37 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.288 0.949 . . . . 10.0 111.897 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.5 86.35 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.849 0.86 . . . . 10.0 111.523 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.99 -43.75 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.167 0.587 . . . . 10.0 110.473 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -147.68 92.65 4.71 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.262 1.825 . . . . 10.0 110.701 -168.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -60.18 109.96 0.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 121.837 1.691 . . . . 10.0 108.812 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 m -79.92 125.7 81.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 123.776 0.83 . . . . 10.0 110.808 -169.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.72 -48.83 18.9 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.329 3.352 . . . . 10.0 113.987 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -151.68 137.56 11.22 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 117.492 -1.242 . . . . 10.0 108.05 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -42.49 -43.96 8.28 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.518 2.812 . . . . 10.0 113.712 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.92 60.2 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.728 -0.608 . . . . 10.0 112.011 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.78 42.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.575 0.75 . . . . 10.0 112.063 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.74 -17.92 10.73 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -59.87 -30.31 68.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.935 0.789 . . . . 10.0 112.587 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.99 133.42 55.32 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.841 -0.537 . . . . 10.0 110.058 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -45.67 -45.49 14.13 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.535 1.134 . . . . 10.0 112.354 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -48.81 -55.72 10.79 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.325 1.05 . . . . 10.0 110.245 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.46 -43.86 80.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.508 -176.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -51.57 -45.45 63.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.957 0.799 . . . . 10.0 110.499 175.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -64.37 -45.98 85.35 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.86 -0.525 . . . . 10.0 111.034 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.4 -39.28 92.72 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.511 -0.743 . . . . 10.0 111.116 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -59.91 -50.18 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 126.229 1.811 . . . . 10.0 108.235 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.76 -49.47 70.79 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.176 0.444 . . . . 10.0 110.781 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -55.25 -49.87 70.94 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.011 0.369 . . . . 10.0 110.824 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.08 86.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.802 0.441 . . . . 10.0 111.137 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.63 -53.36 55.79 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.513 0.725 . . . . 10.0 110.042 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -54.25 -52.9 59.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.015 0.526 . . . . 10.0 110.917 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -47.36 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 122.052 -0.405 . . . . 10.0 110.694 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -56.84 -45.47 82.36 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.564 -0.71 . . . . 10.0 110.445 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.06 22.99 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.574 -1.011 . . . . 10.0 110.574 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -51.16 -49.5 60.76 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.286 0.634 . . . . 10.0 110.893 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.3 mmt -58.23 -48.04 81.63 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.61 -0.233 . . . . 10.0 111.074 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -56.5 -47.96 78.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.243 0.617 . . . . 10.0 110.738 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.46 -34.63 77.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.519 0.728 . . . . 10.0 111.802 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.3 t -71.72 -48.11 49.36 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.539 0.685 . . . . 10.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.45 108.29 2.76 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.208 1.003 . . . . 10.0 113.093 -169.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -6.25 41.78 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.447 -0.783 . . . . 10.0 112.421 175.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.8 m -155.5 152.66 29.18 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.675 -1.266 . . . . 10.0 110.196 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -54.97 -47.97 73.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.653 1.181 . . . . 10.0 111.798 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -51.03 -46.92 61.74 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.957 -0.464 . . . . 10.0 111.073 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.2 -51.54 69.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -49.36 -47.94 47.11 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.301 0.64 . . . . 10.0 111.874 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.88 -47.92 73.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.873 -0.517 . . . . 10.0 111.195 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -53.34 -61.52 2.25 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.338 0.3 OUTLIER -64.79 -29.35 70.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.994 0.815 . . . . 10.0 112.394 -173.541 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.22 -51.67 55.4 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.491 1.041 . . . . 10.0 111.082 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.18 85.19 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.776 -0.577 . . . . 10.0 110.301 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.25 -51.07 67.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.086 0.954 . . . . 10.0 110.307 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -51.52 -53.08 41.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.369 0.531 . . . . 10.0 110.118 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.4 mt -53.66 -51.8 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 117.923 0.329 . . . . 10.0 111.254 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -49.53 -57.23 7.45 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.029 1.332 . . . . 10.0 109.183 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -56.7 -50.61 71.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.904 -0.569 . . . . 10.0 111.321 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.3 mt -49.78 -59.3 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 118.697 0.681 . . . . 10.0 109.786 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -52.9 -52.52 57.32 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.977 0.353 . . . . 10.0 110.679 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -55.53 -40.03 71.31 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -73.66 -59.82 2.54 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.161 0.505 . . . . 10.0 110.168 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.3 -39.29 63.86 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.451 1.1 . . . . 10.0 111.642 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -72.61 -9.75 58.96 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 117.591 -1.195 . . . . 10.0 114.203 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -32.53 -51.4 0.27 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 116.023 1.861 . . . . 10.0 116.023 -169.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -73.08 75.3 1.23 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 170.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -74.65 -158.05 0.07 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.71 1.204 . . . . 10.0 108.779 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.06 70.3 0.06 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.291 1.436 . . . . 10.0 110.116 171.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -77.81 56.89 1.59 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.548 1.939 . . . . 10.0 112.366 -169.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -77.38 61.51 2.22 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.788 0.835 . . . . 10.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.095 -1.431 . . . . 10.0 108.827 -179.38 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.554 -0.165 . . . . 10.0 110.554 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -35.24 -52.54 0.6 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.904 1.682 . . . . 10.0 114.546 -178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -60.42 -46.07 91.33 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.856 0.463 . . . . 10.0 110.664 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -43.88 96.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.627 0.771 . . . . 10.0 109.15 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.26 -54.77 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.888 0.475 . . . . 10.0 109.775 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -65.48 -44.68 86.33 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.275 -0.266 . . . . 10.0 110.695 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -54.45 -53.34 55.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.179 0.592 . . . . 10.0 110.232 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.11 -51.47 69.18 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.576 0.351 . . . . 10.0 110.948 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.51 -49.95 74.67 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.398 0.679 . . . . 10.0 110.171 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.28 -43.6 98.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.554 1.142 . . . . 10.0 111.283 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.9 tp -46.07 -52.76 11.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.344 1.058 . . . . 10.0 112.159 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.67 -52.0 67.53 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 76.5 mtp -54.59 -43.94 72.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.637 0.775 . . . . 10.0 110.201 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -59.97 -14.99 18.56 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 10.0 112.849 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -53.03 -35.08 59.07 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.9 -1.125 . . . . 10.0 109.923 169.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.01 -28.56 69.66 Favored 'General case' 0 C--O 1.224 -0.263 0 O-C-N 121.635 -0.665 . . . . 10.0 111.764 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.43 -53.39 12.35 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 171.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -48.44 -43.1 34.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.808 0.843 . . . . 10.0 111.649 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.49 15.72 24.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.347 1.459 . . . . 10.0 112.957 -173.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -37.14 -72.89 0.05 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.635 1.574 . . . . 10.0 114.294 -170.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 26.48 -108.23 0.01 OUTLIER Glycine 0 CA--C 1.532 1.104 0 C-N-CA 126.387 1.946 . . . . 10.0 113.617 -175.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -85.68 -45.96 11.18 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.825 0.85 . . . . 10.0 110.276 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -55.78 -31.65 62.78 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.784 1.234 . . . . 10.0 112.307 -169.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -129.2 49.91 2.2 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.591 0.756 . . . . 10.0 109.409 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.232 -1.366 . . . . 10.0 110.924 175.631 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.266 0 N-CA-C 111.064 -0.814 . . . . 10.0 111.064 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.9 t -74.68 72.93 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 123.465 0.706 . . . . 10.0 109.383 -176.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -73.59 70.22 1.3 Allowed 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.927 1.291 . . . . 10.0 111.459 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 10.36 11.11 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.348 1.059 . . . . 10.0 111.748 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.02 -65.56 3.75 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -64.63 -25.48 67.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.777 0.431 . . . . 10.0 111.029 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -39.73 -47.24 2.01 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.852 1.661 . . . . 10.0 111.569 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.62 -37.06 11.85 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 126.517 1.927 . . . . 10.0 112.812 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -69.24 -26.91 65.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.957 0.903 . . . . 10.0 111.58 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.1 t -116.32 94.35 3.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.351 1.06 . . . . 10.0 108.897 -172.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 p -82.23 166.93 19.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.38 1.472 . . . . 10.0 110.983 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -45.65 -41.87 10.81 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.945 1.298 . . . . 10.0 112.356 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.25 -47.93 83.88 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.53 -0.731 . . . . 10.0 110.999 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -67.54 -40.61 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.829 -0.544 . . . . 10.0 109.534 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -53.57 -50.93 64.51 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.71 -0.619 . . . . 10.0 109.8 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.8 m -55.28 -49.24 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.927 1.291 . . . . 10.0 111.133 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -57.43 -50.57 72.6 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.289 0.635 . . . . 10.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -61.72 -45.77 92.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.207 0.603 . . . . 10.0 110.953 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.87 -50.63 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.26 0.624 . . . . 10.0 110.002 171.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.38 -48.13 74.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.857 -0.527 . . . . 10.0 109.919 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.58 -41.59 77.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.42 -0.8 . . . . 10.0 112.347 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.55 -54.61 38.95 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.681 1.128 . . . . 10.0 109.021 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -53.86 -51.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 CA-C-O 118.624 -0.703 . . . . 10.0 109.774 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.62 -47.7 84.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 119.153 0.888 . . . . 10.0 111.45 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.62 98.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.976 -0.453 . . . . 10.0 111.015 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.23 -42.26 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.127 0.571 . . . . 10.0 110.569 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -150.78 88.79 4.49 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 126.77 2.028 . . . . 10.0 109.967 -168.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -53.04 114.89 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.71 2.274 . . . . 10.0 110.346 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -85.74 127.09 64.07 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 123.591 0.756 . . . . 10.0 109.303 -169.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.43 -48.3 19.32 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 124.097 3.198 . . . . 10.0 114.039 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -156.89 143.14 13.08 Favored Pre-proline 0 N--CA 1.456 -0.167 0 CA-C-O 117.459 -1.258 . . . . 10.0 107.638 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -42.75 -44.16 8.86 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.224 2.616 . . . . 10.0 113.659 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.44 -33.54 54.49 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.643 -0.661 . . . . 10.0 112.236 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.62 -25.42 60.09 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.4 0.68 . . . . 10.0 111.765 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.65 -17.67 16.07 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.24 -20.31 66.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.851 0.75 . . . . 10.0 112.769 173.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -64.81 144.79 57.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.141 0.882 . . . . 10.0 110.327 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -41.02 71.81 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.704 -0.622 . . . . 10.0 112.368 -171.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.58 -44.5 90.48 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.381 -0.824 . . . . 10.0 109.006 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.2 tpt -56.37 -48.02 77.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.039 0.535 . . . . 10.0 110.172 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.07 -43.31 73.79 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.122 0.969 . . . . 10.0 110.983 174.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.04 -42.14 97.92 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.671 -0.643 . . . . 10.0 110.76 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -43.19 96.72 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.524 -0.735 . . . . 10.0 110.191 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.71 -49.35 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 122.977 0.511 . . . . 10.0 109.917 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.15 76.8 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.996 0.518 . . . . 10.0 110.672 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -52.67 -51.35 60.6 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.664 0.386 . . . . 10.0 110.239 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -47.35 84.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.564 0.346 . . . . 10.0 111.026 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -54.29 -53.5 52.97 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.041 0.536 . . . . 10.0 110.281 174.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.65 -54.12 45.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.343 0.657 . . . . 10.0 110.564 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -45.28 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 122.789 0.436 . . . . 10.0 110.47 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.82 -46.54 78.07 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.827 0.739 . . . . 10.0 110.862 173.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -51.7 43.31 Favored Glycine 0 CA--C 1.533 1.183 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -53.77 -48.29 69.88 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.97 -0.723 . . . . 10.0 110.744 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.5 mmt -59.75 -45.17 93.06 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.453 -0.308 . . . . 10.0 111.308 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -55.63 -46.12 77.47 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.15 0.58 . . . . 10.0 110.269 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.5 -40.99 89.53 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.544 0.737 . . . . 10.0 111.319 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -71.76 -46.53 58.1 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.271 0.558 . . . . 10.0 111.838 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 113.42 2.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.911 1.285 . . . . 10.0 113.985 -169.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -61.62 -30.87 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.815 0.846 . . . . 10.0 112.747 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 m -140.57 157.22 45.79 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.633 1.173 . . . . 10.0 109.868 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -55.58 -49.54 72.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.857 0.837 . . . . 10.0 110.736 175.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.31 -46.58 25.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.053 0.941 . . . . 10.0 110.993 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.55 -52.08 65.9 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -50.36 -48.42 55.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.477 1.111 . . . . 10.0 111.503 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -61.12 -53.02 62.24 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 121.626 -0.671 . . . . 10.0 110.947 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -52.11 -61.14 2.45 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.695 0.398 . . . . 10.0 111.777 -178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.351 0.3 OUTLIER -66.58 -27.34 67.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.745 -175.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.5 mt -65.56 -51.83 56.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.244 1.383 . . . . 10.0 110.639 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.69 -47.18 77.21 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.061 -0.399 . . . . 10.0 110.199 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.12 -43.38 95.66 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.029 0.532 . . . . 10.0 110.839 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -56.95 -51.98 67.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.462 -0.773 . . . . 10.0 110.014 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.7 mt -50.77 -53.59 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.045 0.384 . . . . 10.0 110.162 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.14 -56.75 8.17 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.812 1.245 . . . . 10.0 109.593 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.15 -48.71 79.42 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.463 -0.78 . . . . 10.0 111.296 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.93 -55.59 13.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 119.218 0.917 . . . . 10.0 109.24 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.17 -54.68 27.76 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.83 -0.605 . . . . 10.0 110.324 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -51.44 -58.6 5.81 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.761 0.71 . . . . 10.0 111.656 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -51.54 -56.23 14.59 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.774 1.23 . . . . 10.0 111.651 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.45 -60.81 2.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.471 1.109 . . . . 10.0 109.629 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -49.08 -60.46 2.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.468 1.507 . . . . 10.0 111.249 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -72.81 -39.84 66.33 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -168.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -100.15 -50.13 4.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.766 0.712 . . . . 10.0 112.199 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -82.83 -51.96 7.17 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 121.584 -0.697 . . . . 10.0 110.508 -169.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -81.94 -60.6 2.17 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.988 0.915 . . . . 10.0 110.787 -170.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.4 t 20.75 -94.08 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.262 2.625 . . . . 10.0 114.067 -169.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.424 ' CD ' ' H ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -59.3 -32.17 69.8 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.91 0.777 . . . . 10.0 112.511 -174.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.8 tp . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.225 -1.369 . . . . 10.0 108.497 179.164 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -48.07 -46.94 34.14 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.623 0.769 . . . . 10.0 112.306 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -57.33 -47.4 81.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.988 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -44.13 95.25 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.62 -56.09 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.354 0.661 . . . . 10.0 109.584 173.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -66.28 -46.74 75.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.138 -0.351 . . . . 10.0 111.451 -173.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.38 -50.02 72.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.07 0.395 . . . . 10.0 110.017 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.4 tp -56.0 -51.89 66.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.975 0.91 . . . . 10.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.02 -54.92 41.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.471 0.653 . . . . 10.0 110.17 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.78 -43.28 80.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.891 1.276 . . . . 10.0 111.216 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.78 -52.44 40.8 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.695 0.798 . . . . 10.0 110.691 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.73 -51.7 61.0 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 65.9 mtt -49.42 -38.41 29.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.992 0.517 . . . . 10.0 112.306 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.7 m -66.46 -15.83 63.65 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 45.8 m -49.73 -47.85 50.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.597 1.09 . . . . 10.0 111.51 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.21 -39.72 79.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.172 0.442 . . . . 10.0 112.006 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -61.99 -50.12 73.34 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 122.014 -0.429 . . . . 10.0 109.984 176.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.55 -46.28 84.11 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.348 -0.22 . . . . 10.0 110.536 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.9 tp -55.32 -51.44 66.74 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.56 1.144 . . . . 10.0 110.297 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -57.77 -43.88 85.78 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.048 -0.407 . . . . 10.0 110.373 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.59 -51.33 59.36 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 123.557 0.599 . . . . 10.0 112.394 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.86 87.19 2.59 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.008 1.323 . . . . 10.0 108.553 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.4 ' H ' ' CD ' ' B' ' 110' ' ' GLN . 12.3 mp0 -52.97 -47.43 68.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.893 1.277 . . . . 10.0 111.725 -173.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.51 61.92 5.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.345 0.658 . . . . 10.0 109.653 -172.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.341 -1.314 . . . . 10.0 108.809 -179.788 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 N-CA-C 110.907 -0.877 . . . . 10.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.73 66.62 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.73 1.212 . . . . 10.0 110.501 -170.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.55 73.26 0.37 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.168 0.987 . . . . 10.0 111.102 -176.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.3 28.95 1.18 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.206 1.003 . . . . 10.0 110.93 -174.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.1 -66.12 1.87 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.718 -1.239 . . . . 10.0 110.666 -172.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -69.46 -19.54 63.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.603 1.161 . . . . 10.0 112.862 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -42.75 -42.86 3.71 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 125.893 1.677 . . . . 10.0 113.377 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.86 -32.07 5.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.93 1.292 . . . . 10.0 113.054 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -74.23 -28.93 61.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.038 0.535 . . . . 10.0 112.045 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.9 t -118.6 92.38 2.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 124.19 0.996 . . . . 10.0 110.775 -169.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -80.85 165.74 21.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.052 1.741 . . . . 10.0 111.526 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -48.86 -41.41 33.09 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.498 1.119 . . . . 10.0 112.144 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -58.76 4.55 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.25 1.02 . . . . 10.0 110.47 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -51.44 -49.76 61.08 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.666 0.666 . . . . 10.0 110.736 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 t -61.18 -46.83 88.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.821 0.848 . . . . 10.0 110.413 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -55.2 -48.83 73.27 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.07 -47.85 84.14 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 10.0 111.083 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.8 t -49.25 -50.42 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 119.064 0.847 . . . . 10.0 110.448 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -55.66 -49.6 72.49 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.661 -0.649 . . . . 10.0 110.478 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.73 -39.93 68.75 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.696 -0.668 . . . . 10.0 111.756 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -57.86 -53.08 62.31 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 119.509 1.05 . . . . 10.0 109.728 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.56 -51.2 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 119.093 -0.48 . . . . 10.0 109.741 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -57.46 -49.65 75.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.482 0.583 . . . . 10.0 111.908 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.23 99.26 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.478 0.711 . . . . 10.0 110.691 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.82 -49.28 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.292 0.637 . . . . 10.0 109.798 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -159.35 99.21 1.57 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.242 1.417 . . . . 10.0 110.276 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -56.03 128.95 32.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.439 2.759 . . . . 10.0 112.224 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.9 p -93.16 119.22 67.75 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-O 118.037 -0.982 . . . . 10.0 110.648 -175.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.45 -37.08 61.03 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.412 2.741 . . . . 10.0 114.584 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -151.88 135.66 9.66 Favored Pre-proline 0 C--N 1.341 0.213 0 CA-C-O 117.788 -1.101 . . . . 10.0 109.361 -175.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -42.74 -45.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.793 2.995 . . . . 10.0 113.857 171.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.0 -34.31 55.72 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.575 -0.703 . . . . 10.0 112.054 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.35 51.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.267 0.627 . . . . 10.0 111.655 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.71 -25.89 20.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.274 0.63 . . . . 10.0 112.251 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.99 -20.37 65.02 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.52 138.89 57.96 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.89 0.768 . . . . 10.0 110.727 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -56.85 -30.08 63.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -80.24 -41.03 25.87 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.432 0.56 . . . . 10.0 110.496 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.8 mmm -59.78 -43.37 94.42 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.443 -0.786 . . . . 10.0 110.87 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -51.0 -36.9 41.76 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.844 0.458 . . . . 10.0 110.562 171.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.733 -0.604 . . . . 10.0 111.536 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.65 -47.18 84.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.43 -53.74 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.487 1.115 . . . . 10.0 109.19 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.49 -49.26 73.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.825 0.85 . . . . 10.0 110.851 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -54.62 -52.46 62.15 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 122.614 0.365 . . . . 10.0 110.414 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.92 87.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.619 0.768 . . . . 10.0 111.027 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.57 -54.4 46.4 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.458 0.572 . . . . 10.0 110.235 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -52.55 -55.39 22.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.808 0.843 . . . . 10.0 110.833 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -48.49 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.856 0.862 . . . . 10.0 110.45 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.25 -47.82 77.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.393 0.997 . . . . 10.0 110.736 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.12 -55.6 25.4 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -48.95 -51.1 32.26 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.866 0.867 . . . . 10.0 110.881 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.8 mmt -62.03 -44.79 95.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.777 -0.63 . . . . 10.0 111.204 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.37 -49.11 70.6 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.029 0.832 . . . . 10.0 110.023 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.97 -35.24 74.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.8 m -73.12 -38.7 66.22 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.627 -0.671 . . . . 10.0 112.18 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 108.93 3.44 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.549 1.139 . . . . 10.0 113.371 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -58.24 -36.9 73.89 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.187 0.595 . . . . 10.0 112.182 174.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.0 t -131.79 155.71 47.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.612 1.565 . . . . 10.0 110.156 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -50.47 -39.92 49.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.263 1.425 . . . . 10.0 109.707 169.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -56.35 -48.54 76.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.995 0.426 . . . . 10.0 110.045 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.51 -51.0 69.15 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -45.89 -53.36 9.95 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.152 0.981 . . . . 10.0 111.662 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.5 -54.3 48.19 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.772 -0.58 . . . . 10.0 111.198 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.19 -60.38 3.36 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.313 0.3 OUTLIER -68.08 -25.67 65.45 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.543 -0.741 . . . . 10.0 112.646 -175.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.94 -54.47 34.04 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 120.202 1.365 . . . . 10.0 110.017 170.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.76 -47.13 74.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.069 -0.395 . . . . 10.0 110.346 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.092 -0.48 . . . . 10.0 111.11 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.93 -48.58 73.6 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 10.0 110.421 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.5 mt -54.64 -54.55 21.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.43 0.633 . . . . 10.0 109.406 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.22 -55.32 15.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.252 1.421 . . . . 10.0 108.795 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -46.51 -61.59 1.75 Allowed 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 124.658 1.183 . . . . 10.0 110.964 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.4 mt -49.33 -63.44 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 119.532 1.06 . . . . 10.0 109.618 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -66.01 -25.09 66.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 119.641 -0.823 . . . . 10.0 112.458 -171.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -65.9 0.95 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.062 0.846 . . . . 10.0 110.871 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -44.93 -44.5 9.8 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 125.891 1.676 . . . . 10.0 111.713 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.46 -17.62 62.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.3 0.64 . . . . 10.0 112.616 -177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -111.52 -65.21 1.19 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.121 1.368 . . . . 10.0 110.587 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -128.79 109.88 11.68 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.975 2.11 . . . . 10.0 109.384 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -77.34 62.26 2.32 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.91 1.284 . . . . 10.0 110.083 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -134.33 -106.0 0.23 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.874 0.87 . . . . 10.0 110.755 -170.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -80.29 62.76 4.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.179 1.391 . . . . 10.0 111.045 -171.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.6 p -90.58 -51.25 5.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 125.828 1.651 . . . . 10.0 111.232 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -59.82 -55.27 36.27 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.138 0.575 . . . . 10.0 110.533 174.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.25 1.087 0 C-N-CA 126.213 1.805 . . . . 10.0 108.038 177.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 119.294 -0.384 . . . . 10.0 110.798 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -50.11 -51.01 46.47 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.564 0.62 . . . . 10.0 111.67 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -58.02 -41.91 84.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.456 0.703 . . . . 10.0 111.215 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -52.14 62.82 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 14.4 mm -52.78 -57.4 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.798 0.839 . . . . 10.0 109.775 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -65.69 -47.54 75.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.015 -0.517 . . . . 10.0 111.311 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.08 -45.72 86.67 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.014 0.824 . . . . 10.0 110.373 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.91 -50.21 73.23 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.261 0.482 . . . . 10.0 110.793 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.06 -51.09 69.1 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.506 0.67 . . . . 10.0 110.334 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.92 -30.96 69.53 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.92 1.288 . . . . 10.0 112.627 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 60.9 tp -46.48 -45.55 18.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.37 1.068 . . . . 10.0 110.909 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.39 -52.83 14.29 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.745 0.418 . . . . 10.0 109.974 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.8 mmt -47.34 -41.49 19.51 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.586 0.754 . . . . 10.0 111.43 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.9 m -57.9 -24.95 60.05 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 41.1 m -42.09 -44.14 3.51 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.487 1.04 . . . . 10.0 113.186 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -55.76 -34.52 65.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 -175.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -36.0 75.18 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.616 0.644 . . . . 10.0 110.973 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.57 -50.72 64.1 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.8 tp -50.1 -51.42 43.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.734 1.214 . . . . 10.0 109.748 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -59.44 -51.18 70.98 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.969 1.308 . . . . 10.0 110.189 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.91 -32.32 33.78 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.758 1.171 . . . . 10.0 112.577 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -115.88 32.5 6.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.936 0.868 . . . . 10.0 111.115 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 9.86 56.05 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.584 2.754 . . . . 10.0 115.679 -169.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.11 61.73 7.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.154 0.582 . . . . 10.0 109.966 -172.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.159 -1.4 . . . . 10.0 110.276 -178.148 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 N-CA-C 111.671 -0.572 . . . . 10.0 111.671 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.45 136.25 27.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 122.593 0.357 . . . . 10.0 110.071 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -64.17 -60.96 2.58 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.3 1.048 . . . . 10.0 110.609 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -113.46 158.59 20.5 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.957 2.103 . . . . 10.0 106.58 170.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.34 -53.91 11.13 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.771 1.169 . . . . 10.0 111.662 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -62.27 -15.58 48.29 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.659 1.184 . . . . 10.0 113.711 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -59.35 -25.23 64.05 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.203 -0.936 . . . . 10.0 111.115 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -47.22 -36.19 8.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.601 1.16 . . . . 10.0 111.119 169.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -99.28 -51.02 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.738 1.215 . . . . 10.0 110.559 -177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -79.4 90.89 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.228 0.537 . . . . 10.0 111.104 -175.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -71.14 160.44 32.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.522 1.153 . . . . 10.0 112.971 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -52.14 -39.84 60.54 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.705 -1.134 . . . . 10.0 112.247 174.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -56.08 -48.22 76.53 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.576 0.75 . . . . 10.0 111.517 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.95 -49.26 78.16 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.626 -0.671 . . . . 10.0 109.608 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -51.74 -46.8 64.15 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.823 0.344 . . . . 10.0 110.885 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -58.42 -48.77 79.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.605 1.162 . . . . 10.0 111.374 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -63.25 -39.03 93.44 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.675 -0.64 . . . . 10.0 110.4 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.12 -46.34 89.48 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.047 -1.033 . . . . 10.0 110.865 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -50.99 -51.63 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 121.312 -0.868 . . . . 10.0 110.212 169.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.83 -47.32 64.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.693 -0.67 . . . . 10.0 111.353 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -57.76 -46.66 84.22 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.447 0.699 . . . . 10.0 111.341 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -51.24 -52.53 43.86 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -55.06 -53.03 38.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.885 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -54.1 -50.2 67.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.695 1.134 . . . . 10.0 111.856 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -36.67 84.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.978 0.511 . . . . 10.0 111.499 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.2 mt -74.35 -53.09 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 121.322 0.582 . . . . 10.0 109.693 173.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -137.36 103.18 8.73 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 128.038 2.535 . . . . 10.0 109.878 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.4 107.12 1.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.514 2.143 . . . . 10.0 109.793 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 m -74.49 133.46 77.22 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 -173.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -65.88 -40.64 16.07 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.421 2.081 . . . . 10.0 112.124 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -151.09 140.55 13.84 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 117.417 -1.278 . . . . 10.0 108.059 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -41.59 -45.5 6.3 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.59 2.86 . . . . 10.0 113.979 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.54 62.78 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.608 -0.683 . . . . 10.0 112.004 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -21.74 60.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.527 0.731 . . . . 10.0 112.063 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.44 -26.87 44.53 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.82 0.736 . . . . 10.0 111.76 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.54 -15.68 63.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.32 133.09 54.62 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.363 -0.836 . . . . 10.0 110.09 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -54.15 -24.82 19.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.153 0.981 . . . . 10.0 113.532 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -71.2 -48.91 48.64 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.557 0.617 . . . . 10.0 110.235 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.99 -39.08 87.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.656 0.782 . . . . 10.0 110.822 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -40.26 -39.95 1.04 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.581 1.552 . . . . 10.0 112.348 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -64.11 -50.82 66.78 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.634 0.774 . . . . 10.0 111.326 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.56 -42.63 99.67 Favored 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.12 -52.75 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.069 0.547 . . . . 10.0 109.891 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.69 71.0 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.241 0.616 . . . . 10.0 110.994 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.56 -52.32 62.47 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.384 -0.197 . . . . 10.0 110.546 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.37 80.7 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.578 0.751 . . . . 10.0 111.233 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.14 -53.64 54.7 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.002 0.521 . . . . 10.0 110.722 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -53.79 -55.31 27.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.414 0.686 . . . . 10.0 110.383 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -44.47 98.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.255 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.73 -45.91 77.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.388 -0.82 . . . . 10.0 110.826 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -54.37 28.35 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.089 -0.805 . . . . 10.0 111.089 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.09 -49.79 59.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.027 0.531 . . . . 10.0 111.121 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -61.16 -42.37 98.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.281 -0.39 . . . . 10.0 111.349 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.73 -49.68 75.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.471 0.578 . . . . 10.0 110.29 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.99 -41.79 99.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 111.589 0.218 . . . . 10.0 111.589 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 m -63.08 -43.19 99.21 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.655 0.74 . . . . 10.0 111.845 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 107.14 2.38 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.383 1.087 . . . . 10.0 112.73 -169.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.812 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -149.6 164.19 35.82 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.879 0.871 . . . . 10.0 110.733 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -55.37 -48.81 73.72 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.902 1.681 . . . . 10.0 110.816 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -49.46 -53.56 22.4 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.038 0.535 . . . . 10.0 110.843 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -55.83 -51.5 67.29 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 123.059 0.543 . . . . 10.0 110.157 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -49.46 -52.16 30.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.536 0.607 . . . . 10.0 112.343 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -58.02 -51.81 68.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.995 -0.44 . . . . 10.0 110.616 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -54.47 -60.87 2.76 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -66.07 -30.64 71.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.279 0.945 . . . . 10.0 112.971 -175.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.92 -52.69 47.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.836 1.198 . . . . 10.0 110.923 171.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.06 71.79 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.78 -45.69 91.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.664 0.786 . . . . 10.0 110.72 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -55.26 -54.29 45.28 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.817 0.735 . . . . 10.0 110.248 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' B' ' 95' ' ' LEU . 35.9 mt -50.4 -53.94 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.402 0.62 . . . . 10.0 110.453 174.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.28 -51.49 64.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.694 1.198 . . . . 10.0 110.61 -175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -56.02 -51.16 68.76 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.494 0.718 . . . . 10.0 111.394 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.75 -52.33 17.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -62.39 -46.01 90.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.52 1.054 . . . . 10.0 112.138 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -56.37 -41.32 76.01 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.755 -1.215 . . . . 10.0 111.563 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -78.48 -63.48 1.39 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.342 0.657 . . . . 10.0 111.571 177.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 tp -80.77 -11.68 59.57 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.623 2.369 . . . . 10.0 114.74 -169.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 11.87 84.78 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.366 2.666 . . . . 10.0 115.362 -169.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -84.46 15.53 3.64 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.107 1.363 . . . . 10.0 111.446 172.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -49.29 -32.65 11.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.844 1.657 . . . . 10.0 112.83 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mtm105 -49.81 -41.2 44.2 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.004 . . . . 10.0 111.706 173.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -105.28 -60.14 1.66 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.516 1.526 . . . . 10.0 110.643 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.7 p -55.97 139.83 45.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.811 1.644 . . . . 10.0 113.461 -169.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -59.08 136.55 57.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.019 0.928 . . . . 10.0 109.967 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.893 -1.527 . . . . 10.0 113.099 -174.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 53.7 mttp . . . . . 0 N--CA 1.475 0.782 0 CA-C-O 118.372 -0.823 . . . . 10.0 111.447 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -12.84 -71.3 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.399 2.679 . . . . 10.0 116.193 -171.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -52.39 -54.23 34.68 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.522 0.729 . . . . 10.0 110.531 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -47.85 83.71 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.89 -44.23 48.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 122.987 0.515 . . . . 10.0 110.871 -175.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -72.23 -48.51 42.3 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.852 -0.53 . . . . 10.0 112.056 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.5 -45.45 81.02 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.496 0.589 . . . . 10.0 111.5 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 72' ' ' ILE . 52.1 tp -47.44 -58.0 4.69 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.534 2.334 . . . . 10.0 110.5 172.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.91 -54.71 43.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.024 0.53 . . . . 10.0 110.321 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.38 -44.42 76.08 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.599 1.16 . . . . 10.0 111.402 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.31 -52.45 65.3 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.922 0.889 . . . . 10.0 110.027 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.17 -50.32 74.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 22.0 mmt -50.34 -42.97 53.86 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.264 0.484 . . . . 10.0 111.88 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 69.3 m -65.16 -36.35 83.96 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -174.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -19.74 -63.23 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -169.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.68 -38.02 31.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.733 1.151 . . . . 10.0 113.627 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -62.52 -36.85 83.88 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.843 -0.535 . . . . 10.0 110.346 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -74.92 -42.13 58.36 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.07 0.948 . . . . 10.0 109.673 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.4 tp -52.76 -52.93 54.49 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.187 1.395 . . . . 10.0 110.336 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -69.75 -47.06 64.39 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.69 1.196 . . . . 10.0 109.048 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.81 -47.01 13.9 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.054 0.835 . . . . 10.0 112.223 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.67 -60.41 3.35 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 171.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -79.79 64.35 4.62 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.652 -0.655 . . . . 10.0 110.682 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.73 57.12 0.98 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.333 1.053 . . . . 10.0 112.849 -171.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--O 1.252 1.208 0 CA-C-O 117.314 -1.327 . . . . 10.0 110.307 177.699 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 111.382 -0.687 . . . . 10.0 111.382 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.4 57.9 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 125.292 1.437 . . . . 10.0 112.069 -177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -86.38 -48.07 8.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.8 1.24 . . . . 10.0 111.323 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -91.75 136.91 32.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.444 -1.687 . . . . 10.0 106.444 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.3 -46.72 28.27 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 118.735 0.698 . . . . 10.0 111.925 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -60.93 -12.56 11.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -57.35 -30.01 64.48 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.069 0.849 . . . . 10.0 111.401 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.93 -35.84 6.96 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.356 1.062 . . . . 10.0 111.402 170.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -100.37 -39.48 7.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.876 1.27 . . . . 10.0 111.081 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -91.31 89.9 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.554 0.692 . . . . 10.0 110.011 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -71.95 160.29 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.885 0.85 . . . . 10.0 111.395 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -51.66 -39.08 57.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.738 0.815 . . . . 10.0 111.341 174.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.04 -56.77 9.46 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.28 1.032 . . . . 10.0 110.432 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.25 -45.54 94.11 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -53.88 -49.95 67.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.548 0.613 . . . . 10.0 111.004 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 t -60.99 -45.4 94.98 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.989 0.915 . . . . 10.0 110.247 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -57.52 -50.26 73.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.68 -44.98 82.0 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.098 0.559 . . . . 10.0 111.078 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.8 t -50.49 -51.27 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 119.436 1.016 . . . . 10.0 110.761 170.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.21 -50.31 69.74 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.464 -0.772 . . . . 10.0 110.483 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -51.59 -44.19 62.74 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 118.658 -0.687 . . . . 10.0 111.133 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.3 mt -53.14 -56.67 14.54 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.993 0.815 . . . . 10.0 109.155 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -53.63 -59.83 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-O 118.528 -0.749 . . . . 10.0 110.459 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.59 -37.42 86.15 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.535 1.061 . . . . 10.0 112.507 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.14 86.86 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.304 -0.873 . . . . 10.0 110.589 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.5 mt -68.66 -47.1 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.95 0.5 . . . . 10.0 110.304 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -146.72 91.75 5.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 127.175 2.19 . . . . 10.0 108.788 -169.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.68 119.98 4.22 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.7 2.933 . . . . 10.0 112.95 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.2 p -72.68 121.12 84.12 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-O 117.712 -1.137 . . . . 10.0 110.047 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.12 -45.3 42.0 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.719 2.279 . . . . 10.0 112.783 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -165.63 148.47 6.71 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.466 -1.254 . . . . 10.0 107.741 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.52 -43.79 17.57 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.862 2.375 . . . . 10.0 113.179 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.11 37.02 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.668 -0.645 . . . . 10.0 112.684 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.53 -25.02 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.795 -0.566 . . . . 10.0 111.762 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.1 mt -54.46 -31.53 55.8 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -170.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.28 -20.38 65.63 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.327 0.862 . . . . 10.0 113.327 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.86 131.92 36.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 118.688 0.676 . . . . 10.0 109.606 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -53.41 -47.67 69.37 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.684 0.674 . . . . 10.0 112.677 -172.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.1 -49.64 76.86 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.628 -0.67 . . . . 10.0 109.611 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.7 ttm -58.69 -46.43 87.27 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.838 -0.165 . . . . 10.0 110.626 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.83 -46.99 68.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.551 1.54 . . . . 10.0 110.472 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -61.12 -42.83 99.24 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.897 -0.502 . . . . 10.0 110.516 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -64.81 -39.32 93.4 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.713 -0.617 . . . . 10.0 110.977 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.49 -50.83 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 124.764 1.226 . . . . 10.0 109.053 172.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.62 76.64 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.02 -0.425 . . . . 10.0 110.716 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.66 -53.38 52.77 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 122.763 0.425 . . . . 10.0 110.135 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.38 77.84 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.339 0.656 . . . . 10.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -56.98 -52.82 63.72 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.193 0.451 . . . . 10.0 110.471 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -54.48 -53.68 51.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.391 0.676 . . . . 10.0 110.476 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.53 -51.3 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.977 0.911 . . . . 10.0 110.16 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -53.58 -46.99 70.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.294 0.952 . . . . 10.0 110.476 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.42 -58.59 10.64 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.624 -0.99 . . . . 10.0 110.624 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.99 -51.52 41.02 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.387 0.675 . . . . 10.0 111.102 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 mmt -57.59 -43.37 84.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.962 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.71 -52.72 64.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 117.907 0.321 . . . . 10.0 110.406 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.17 -40.99 95.98 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.109 -0.369 . . . . 10.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -63.95 -49.02 74.2 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.136 0.574 . . . . 10.0 111.497 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 111.83 3.78 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 122.042 0.925 . . . . 10.0 112.969 -169.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -55.61 -32.8 63.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.523 0.729 . . . . 10.0 112.512 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -155.05 154.4 32.41 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.502 -0.749 . . . . 10.0 110.561 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -48.63 -45.35 38.27 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.438 1.495 . . . . 10.0 112.535 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.29 -49.32 64.39 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.594 0.757 . . . . 10.0 111.318 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.47 -48.24 78.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -50.95 -52.49 41.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.249 0.62 . . . . 10.0 111.918 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.01 -51.17 70.31 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.8 -0.562 . . . . 10.0 110.324 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -53.74 -63.13 1.25 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.507 0.558 . . . . 10.0 112.507 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -65.08 -29.19 70.04 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.83 0.741 . . . . 10.0 112.588 -174.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.09 -54.69 30.11 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.567 1.076 . . . . 10.0 110.488 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.9 -46.39 71.41 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.05 -47.6 80.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.138 0.575 . . . . 10.0 110.842 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -58.84 -47.72 83.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.559 -0.713 . . . . 10.0 110.529 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.438 ' CG2' HD11 ' B' ' 95' ' ' LEU . 87.3 mt -53.13 -53.96 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -52.66 29.26 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.209 1.403 . . . . 10.0 109.42 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -56.31 -58.65 7.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 117.951 -1.024 . . . . 10.0 111.853 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.71 -56.93 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 119.636 1.107 . . . . 10.0 109.188 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.09 -56.48 14.15 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 118.449 -0.786 . . . . 10.0 111.474 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -56.43 -56.88 15.69 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.184 1.356 . . . . 10.0 112.354 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -54.1 -49.79 68.31 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.204 1.402 . . . . 10.0 109.548 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 tp -74.65 -40.26 61.56 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.732 1.213 . . . . 10.0 111.33 -172.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -46.96 -49.26 21.0 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 126.72 2.008 . . . . 10.0 110.086 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.67 -40.45 83.55 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.209 -0.307 . . . . 10.0 111.695 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.22 -47.62 73.24 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.702 -0.624 . . . . 10.0 110.342 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -52.88 -48.64 67.0 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.366 1.066 . . . . 10.0 110.074 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -58.52 -50.03 75.24 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.03 0.532 . . . . 10.0 110.855 173.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -75.56 45.57 0.32 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.67 0.788 . . . . 10.0 112.618 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -78.16 61.56 2.69 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.824 0.85 . . . . 10.0 111.131 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.035 -1.46 . . . . 10.0 109.952 -170.431 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.59 -0.719 . . . . 10.0 110.545 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 0.17 -79.01 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 129.041 2.937 . . . . 10.0 115.616 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -56.58 -47.32 79.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.814 0.446 . . . . 10.0 110.884 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -43.46 98.79 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -58.81 -56.52 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 121.349 0.595 . . . . 10.0 109.573 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -67.27 -44.79 78.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.223 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -56.15 -47.68 77.73 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.438 HD11 ' CG2' ' A' ' 72' ' ' ILE . 46.3 tp -57.73 -49.58 76.07 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.899 0.318 . . . . 10.0 111.2 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.1 -57.95 10.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.522 0.677 . . . . 10.0 110.208 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.4 tp -53.37 -44.98 69.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.047 1.339 . . . . 10.0 110.952 -173.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -47.85 -54.99 10.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.532 1.133 . . . . 10.0 110.14 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.78 -52.18 40.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.3 mmt -45.39 -40.45 8.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.016 0.526 . . . . 10.0 112.356 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -65.14 -24.66 67.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.097 1.147 . . . . 10.0 114.097 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.8 m -36.24 -59.33 0.63 Allowed 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 115.588 1.699 . . . . 10.0 115.588 -168.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -46.96 -41.16 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.69 1.586 . . . . 10.0 113.63 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -66.38 -48.33 70.48 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.574 0.75 . . . . 10.0 109.292 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.42 -48.98 75.85 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.664 0.786 . . . . 10.0 109.773 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.15 -64.14 0.91 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 126.29 1.836 . . . . 10.0 109.021 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -58.17 -45.24 87.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.54 -0.464 . . . . 10.0 110.217 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.15 -25.97 41.21 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.287 0.946 . . . . 10.0 113.424 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -117.92 19.31 13.75 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.594 1.197 . . . . 10.0 111.403 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -77.2 77.41 3.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 121.458 -0.776 . . . . 10.0 110.071 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 58.61 0.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.655 0.782 . . . . 10.0 110.601 172.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 67.9 tp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.374 -1.298 . . . . 10.0 108.871 -176.712 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.245 0 N-CA-C 111.343 -0.703 . . . . 10.0 111.343 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.7 m -44.19 105.13 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.662 1.585 . . . . 10.0 112.639 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -158.78 -36.64 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.091 1.145 . . . . 10.0 114.091 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -68.28 144.97 54.65 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.22 10.64 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.34 0.495 . . . . 10.0 113.013 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -71.69 -28.26 63.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -52.43 -45.58 66.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.668 0.667 . . . . 10.0 110.288 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -35.66 -39.66 0.15 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 127.402 2.281 . . . . 10.0 113.29 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -92.24 -14.05 29.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.107 0.963 . . . . 10.0 112.443 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.71 107.78 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.866 0.866 . . . . 10.0 109.704 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -74.47 160.16 31.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.766 0.793 . . . . 10.0 112.604 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -54.31 -44.99 72.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.738 1.215 . . . . 10.0 110.511 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -60.65 -46.07 91.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.723 -0.611 . . . . 10.0 111.604 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.72 -48.28 81.72 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.198 0.908 . . . . 10.0 110.037 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -51.68 -48.7 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.388 0.275 . . . . 10.0 110.369 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -58.32 -46.95 85.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.393 0.677 . . . . 10.0 111.283 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -65.25 -43.71 90.49 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.766 -0.584 . . . . 10.0 110.546 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.85 -47.3 85.34 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.797 -0.565 . . . . 10.0 110.67 174.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 t -52.66 -44.8 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.8 0.84 . . . . 10.0 110.283 171.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.83 -48.85 78.56 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.151 -0.968 . . . . 10.0 110.468 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -51.39 -42.83 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.058 0.845 . . . . 10.0 111.218 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.11 -51.09 71.16 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.62 0.646 . . . . 10.0 111.233 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.9 t -53.29 -47.38 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.852 -0.594 . . . . 10.0 110.134 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.15 -47.93 77.27 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.066 0.848 . . . . 10.0 111.141 175.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.36 85.23 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.921 -0.487 . . . . 10.0 111.714 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.1 mt -70.31 -40.81 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.877 0.471 . . . . 10.0 110.352 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -162.19 95.15 1.24 Allowed Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 125.03 1.332 . . . . 10.0 109.37 -169.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.91 96.57 0.04 OUTLIER 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.343 3.362 . . . . 10.0 112.819 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.2 m -87.6 135.88 33.63 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 124.125 0.97 . . . . 10.0 108.503 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.47 -49.22 6.13 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.023 2.482 . . . . 10.0 113.93 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.31 141.65 21.75 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-O 117.649 -1.167 . . . . 10.0 108.72 -170.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -40.9 -46.79 4.93 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.529 2.82 . . . . 10.0 113.9 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.79 -38.43 61.13 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.665 -0.647 . . . . 10.0 111.823 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.81 -17.18 62.84 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.034 0.534 . . . . 10.0 111.959 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.87 -27.17 67.93 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.953 0.797 . . . . 10.0 111.187 171.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.4 49.37 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.516 0.726 . . . . 10.0 111.272 -173.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.4 147.17 51.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.103 1.361 . . . . 10.0 110.784 -171.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -47.7 63.7 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.564 1.546 . . . . 10.0 111.964 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -65.52 -57.84 7.25 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 108.499 -0.926 . . . . 10.0 108.499 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.4 mmm -51.42 -39.03 56.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.685 0.794 . . . . 10.0 112.812 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -39.46 -42.86 1.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.688 1.195 . . . . 10.0 111.909 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -66.04 -47.22 75.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 123.341 0.656 . . . . 10.0 110.677 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.46 -45.53 90.4 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -52.95 -53.06 23.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 123.539 0.735 . . . . 10.0 109.363 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -52.03 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.432 0.693 . . . . 10.0 110.966 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.7 -49.93 66.98 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.921 0.328 . . . . 10.0 110.621 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.02 91.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.593 0.357 . . . . 10.0 110.954 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.69 -50.24 73.86 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.143 -0.348 . . . . 10.0 110.502 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.02 -55.74 27.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.458 0.703 . . . . 10.0 110.746 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -47.18 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.81 -34.89 75.22 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.241 -0.912 . . . . 10.0 111.498 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.17 -55.39 26.55 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.078 -1.209 . . . . 10.0 110.078 170.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -51.21 -47.59 62.26 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.097 0.449 . . . . 10.0 110.814 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 mmt -58.61 -43.82 89.73 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 111.769 0.285 . . . . 10.0 111.769 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -62.75 -39.21 93.41 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.458 1.103 . . . . 10.0 110.455 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.6 -46.09 70.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.372 0.669 . . . . 10.0 111.25 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.2 t -69.51 -53.26 19.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.821 0.849 . . . . 10.0 111.783 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 123.94 18.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.67 0.788 . . . . 10.0 110.721 -175.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -106.08 23.57 13.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.039 0.536 . . . . 10.0 110.939 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.1 p -161.62 157.82 25.21 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 169.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -64.31 -47.41 79.54 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.255 0.55 . . . . 10.0 109.956 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.3 -45.75 65.68 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.342 0.657 . . . . 10.0 111.192 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.5 -48.72 80.55 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.143 0.883 . . . . 10.0 110.075 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -52.86 -48.66 66.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.643 0.377 . . . . 10.0 111.349 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -58.33 -51.64 68.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.965 -0.459 . . . . 10.0 111.011 172.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -53.83 -60.63 3.07 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.668 0.387 . . . . 10.0 111.791 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.346 0.4 OUTLIER -67.17 -31.28 71.6 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.774 0.715 . . . . 10.0 112.875 -175.622 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -65.75 -50.42 64.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.96 1.255 . . . . 10.0 110.677 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.56 75.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.787 0.435 . . . . 10.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.34 -43.4 96.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.104 0.561 . . . . 10.0 110.677 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.66 -47.74 83.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.769 -0.582 . . . . 10.0 110.167 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' B' ' 95' ' ' LEU . 23.5 mt -55.21 -51.59 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 121.741 -0.599 . . . . 10.0 110.73 173.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -51.99 53.32 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.652 1.181 . . . . 10.0 108.819 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -55.32 -59.47 4.75 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.308 1.043 . . . . 10.0 111.328 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.8 mt -43.97 -61.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 123.884 0.874 . . . . 10.0 109.692 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.03 -53.57 54.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.414 -0.327 . . . . 10.0 111.22 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -55.22 -54.6 41.32 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 118.855 0.752 . . . . 10.0 112.536 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -55.56 -53.19 59.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.081 0.952 . . . . 10.0 109.669 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.5 tp -77.36 -16.63 58.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.852 1.661 . . . . 10.0 113.143 -169.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -38.56 108.73 0.09 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.523 1.929 . . . . 10.0 113.721 -172.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -64.58 -33.99 77.22 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.758 1.223 . . . . 10.0 111.249 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -52.12 -46.78 65.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.235 0.471 . . . . 10.0 112.268 -173.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -67.04 -30.31 70.35 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.782 0.719 . . . . 10.0 111.558 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -78.93 -30.86 44.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.049 0.94 . . . . 10.0 110.891 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.0 m -73.18 61.58 0.63 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.7 1.2 . . . . 10.0 112.669 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -88.81 156.05 19.19 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.25 1.02 . . . . 10.0 110.593 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--O 1.251 1.133 0 CA-C-O 116.993 -1.479 . . . . 10.0 110.482 179.106 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -47.67 1.58 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.237 1.015 . . . . 10.0 112.944 173.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -54.02 -51.44 64.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.807 0.843 . . . . 10.0 111.195 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -29.45 61.64 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 119.201 -0.428 . . . . 10.0 110.77 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.15 -57.25 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.17 -45.83 75.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 119.162 -0.447 . . . . 10.0 110.897 -170.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.55 -49.97 69.05 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.216 0.462 . . . . 10.0 110.136 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.412 HD11 ' CG2' ' A' ' 72' ' ' ILE . 58.5 tp -57.49 -53.78 54.31 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.453 0.301 . . . . 10.0 111.104 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.98 -53.17 61.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.405 0.682 . . . . 10.0 110.103 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.6 -43.77 89.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.941 1.297 . . . . 10.0 111.128 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.42 -50.77 59.06 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.019 0.528 . . . . 10.0 110.538 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.12 -53.39 54.24 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mtt -50.85 -36.87 39.87 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 122.791 0.436 . . . . 10.0 111.93 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.7 m -72.47 -9.82 59.01 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.385 1.254 . . . . 10.0 114.385 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -48.54 -51.83 25.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.57 1.532 . . . . 10.0 113.868 -169.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.04 -36.24 67.8 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 120.756 -1.215 . . . . 10.0 112.48 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -69.97 -40.74 75.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.75 -46.69 74.36 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.631 0.773 . . . . 10.0 110.11 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 mp -57.9 -55.87 29.37 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.157 0.583 . . . . 10.0 110.597 173.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -57.38 -29.69 64.26 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.85 69.3 0.3 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.129 -0.788 . . . . 10.0 111.129 170.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 29.82 52.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 128.125 2.57 . . . . 10.0 114.564 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -133.33 60.38 1.71 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.44 1.096 . . . . 10.0 108.319 171.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.47 70.4 1.26 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.041 0.937 . . . . 10.0 110.679 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 tp . . . . . 0 C--O 1.251 1.156 0 CA-C-O 117.114 -1.422 . . . . 10.0 111.054 177.205 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.201 0 N-CA-C 111.558 -0.617 . . . . 10.0 111.558 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -74.52 54.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.766 1.627 . . . . 10.0 112.472 -173.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -82.67 135.41 35.03 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.298 -0.876 . . . . 10.0 110.69 -176.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -151.58 17.64 0.71 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.723 0.809 . . . . 10.0 111.162 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.56 -66.0 2.04 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.742 -1.343 . . . . 10.0 109.742 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -70.61 -9.74 57.65 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.235 1.014 . . . . 10.0 113.469 -177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -57.71 -37.05 72.84 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.7 1.2 . . . . 10.0 109.895 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -29.93 -46.28 0.06 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 128.785 2.834 . . . . 10.0 114.909 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -112.94 18.79 17.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.626 0.77 . . . . 10.0 112.862 -173.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.11 95.75 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.937 0.895 . . . . 10.0 109.325 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -86.69 164.24 16.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.538 1.135 . . . . 10.0 111.63 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -49.61 -45.22 47.87 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 123.798 0.839 . . . . 10.0 111.413 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.76 -46.8 71.04 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.222 0.464 . . . . 10.0 111.122 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.89 -48.77 77.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -53.39 -50.28 65.47 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 10.0 110.316 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.6 m -54.1 -49.79 68.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.512 1.525 . . . . 10.0 110.553 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.553 ' CD2' HG23 ' B' ' 102' ' ' THR . 5.2 t60 -60.56 -52.38 65.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -52.99 -48.99 67.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.368 0.667 . . . . 10.0 110.423 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.06 -50.38 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.633 -0.667 . . . . 10.0 110.905 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . 0.303 0.5 OUTLIER -64.68 -26.69 68.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 120.179 1.354 . . . . 10.0 113.423 176.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -62.52 -45.47 92.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 119.425 1.012 . . . . 10.0 109.179 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.57 -54.24 48.22 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.933 -0.479 . . . . 10.0 110.6 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.99 -54.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.276 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.75 -35.24 79.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.128 0.876 . . . . 10.0 111.986 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.25 86.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.321 0.509 . . . . 10.0 111.405 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.75 -60.38 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.524 0.678 . . . . 10.0 109.277 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.12 98.83 20.52 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 127.435 2.294 . . . . 10.0 108.283 -169.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.72 85.01 0.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.939 2.426 . . . . 10.0 110.034 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 m -67.88 124.63 89.93 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 124.988 1.315 . . . . 10.0 111.422 -169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.67 -51.09 11.92 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 125.022 3.815 . . . . 10.0 116.207 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.89 142.94 17.1 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 117.801 -1.095 . . . . 10.0 110.685 -169.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.06 -43.91 9.59 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.72 2.946 . . . . 10.0 114.013 170.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -34.49 58.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.614 -0.679 . . . . 10.0 111.946 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -26.3 61.13 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.105 0.562 . . . . 10.0 111.48 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.62 -17.74 35.87 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.05 -22.89 67.04 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.68 0.673 . . . . 10.0 112.241 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.64 135.99 57.17 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.047 0.84 . . . . 10.0 110.927 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -50.96 69.55 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.645 0.778 . . . . 10.0 112.659 -177.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.7 -45.32 94.66 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.819 -0.551 . . . . 10.0 109.545 -178.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 40.6 tpp -59.2 -44.47 92.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.278 -0.264 . . . . 10.0 110.671 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.62 -39.97 78.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.147 0.885 . . . . 10.0 110.491 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -41.56 96.86 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.725 -0.609 . . . . 10.0 110.855 173.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.01 -43.09 88.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.829 0.452 . . . . 10.0 110.319 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -55.03 -50.22 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 124.11 0.964 . . . . 10.0 109.075 171.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.24 78.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.085 0.402 . . . . 10.0 111.051 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.19 -49.64 68.9 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.014 -0.429 . . . . 10.0 110.819 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.44 96.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.057 -0.402 . . . . 10.0 110.933 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -55.8 -50.91 69.22 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.005 -0.435 . . . . 10.0 110.04 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -54.05 -55.18 29.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.183 0.593 . . . . 10.0 110.438 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -44.01 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 119.115 -0.469 . . . . 10.0 110.995 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.3 -47.04 69.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.32 0.964 . . . . 10.0 110.701 171.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.74 -52.64 40.97 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.43 -0.668 . . . . 10.0 111.43 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -51.87 -49.62 62.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.308 0.643 . . . . 10.0 110.456 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 mmt -59.93 -46.76 88.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.27 -0.395 . . . . 10.0 111.297 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -53.33 -51.56 62.01 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.055 0.542 . . . . 10.0 110.229 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -61.56 -43.63 98.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.216 0.606 . . . . 10.0 111.072 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 m -64.97 -41.65 95.26 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.283 0.563 . . . . 10.0 112.152 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 99.63 6.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.165 0.986 . . . . 10.0 112.891 -169.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 47.73 0.84 Allowed 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.449 -1.407 . . . . 10.0 110.91 170.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t 173.34 145.85 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.665 1.986 . . . . 10.0 108.8 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.79 -39.85 93.14 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.013 0.525 . . . . 10.0 110.541 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.0 -44.19 97.78 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.61 -50.32 73.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -50.22 -50.08 50.79 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.914 0.886 . . . . 10.0 111.049 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.44 -54.18 48.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.043 -0.411 . . . . 10.0 110.851 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -54.52 -60.39 3.42 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -176.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.345 0.4 OUTLIER -66.45 -30.77 71.2 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.389 -0.819 . . . . 10.0 112.769 -176.036 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.34 -46.89 75.26 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.796 1.18 . . . . 10.0 110.765 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.19 81.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.856 -0.528 . . . . 10.0 109.971 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -57.88 -49.59 76.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.444 0.697 . . . . 10.0 110.448 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -53.22 -50.79 63.99 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.425 ' CD1' HD23 ' B' ' 99' ' ' LEU . 23.5 mt -55.19 -46.91 77.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.003 0.521 . . . . 10.0 111.669 174.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.59 -57.7 10.39 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.767 0.827 . . . . 10.0 109.058 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -53.51 -52.91 58.08 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.973 -0.537 . . . . 10.0 111.207 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.0 mt -47.79 -63.37 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -53.1 -44.44 67.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.992 -0.528 . . . . 10.0 111.054 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -56.97 12.75 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.112 0.869 . . . . 10.0 111.64 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -52.88 -48.59 67.05 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.686 0.794 . . . . 10.0 111.22 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.94 -50.95 62.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.328 1.051 . . . . 10.0 110.055 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -49.91 -44.17 50.08 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.63 1.172 . . . . 10.0 111.237 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -50.52 -43.22 55.83 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.929 0.344 . . . . 10.0 111.929 172.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -77.18 -38.83 50.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.054 0.942 . . . . 10.0 111.173 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -53.94 -44.1 70.36 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 174.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -69.73 -63.04 1.15 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.243 0.617 . . . . 10.0 111.72 173.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.7 t -88.58 103.67 16.12 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.695 1.198 . . . . 10.0 110.375 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -37.46 79.73 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.761 0.315 . . . . 10.0 110.44 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.387 -1.292 . . . . 10.0 109.288 174.387 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -10.09 -71.78 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 128.679 2.792 . . . . 10.0 115.301 174.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -54.35 -50.85 66.49 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.833 0.853 . . . . 10.0 112.072 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -42.62 97.77 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.749 0.82 . . . . 10.0 109.507 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.77 -54.29 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.58 -50.14 68.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.124 -0.36 . . . . 10.0 110.425 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -54.05 -47.04 72.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.492 0.317 . . . . 10.0 110.422 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.52 -51.16 71.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.448 0.567 . . . . 10.0 111.031 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.06 -50.2 67.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.244 0.545 . . . . 10.0 109.891 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.03 -40.13 92.44 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.722 1.209 . . . . 10.0 111.974 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.08 -44.43 64.36 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.221 1.008 . . . . 10.0 111.845 -172.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 72' ' ' ILE . 1.6 tm? -66.53 -48.32 70.1 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 121.813 -0.554 . . . . 10.0 110.122 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 42.9 mtt -53.48 -43.98 68.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.497 0.665 . . . . 10.0 109.881 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -60.41 -8.71 2.86 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.11 1.364 . . . . 10.0 113.972 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.553 HG23 ' CD2' ' A' ' 17' ' ' HIS . 71.9 m -49.41 -47.79 47.67 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 121.539 1.972 . . . . 10.0 111.958 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.96 -37.17 78.8 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.525 -0.735 . . . . 10.0 111.167 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -62.61 -44.09 97.17 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.054 0.542 . . . . 10.0 110.45 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -55.58 -48.93 74.01 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.718 0.69 . . . . 10.0 110.413 172.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 38.9 mt -56.0 -54.97 38.39 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.75 0.42 . . . . 10.0 110.806 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -55.44 -44.62 76.49 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.542 0.737 . . . . 10.0 110.87 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.27 -52.7 47.69 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.232 -0.747 . . . . 10.0 111.232 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -55.26 -36.19 65.8 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.404 1.082 . . . . 10.0 110.943 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -68.28 -60.25 2.59 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.082 0.553 . . . . 10.0 110.071 171.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.19 58.69 2.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.292 1.037 . . . . 10.0 111.969 -170.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.14 -1.409 . . . . 10.0 110.496 175.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 111.324 -0.711 . . . . 10.0 111.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 m -64.13 -33.65 63.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 118.207 1.004 . . . . 10.0 111.685 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -84.6 111.6 19.68 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 118.279 0.491 . . . . 10.0 109.962 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -132.86 10.17 4.24 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.704 1.202 . . . . 10.0 111.734 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.96 -61.92 3.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.065 -1.214 . . . . 10.0 110.065 -170.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -65.91 -31.49 72.45 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.382 0.673 . . . . 10.0 111.841 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -38.61 -55.19 1.47 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.315 1.846 . . . . 10.0 112.574 -172.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.94 -25.17 68.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.797 1.239 . . . . 10.0 112.873 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.45 -19.4 62.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.887 0.475 . . . . 10.0 110.725 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.0 t -102.48 102.93 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -67.68 161.33 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.315 0.646 . . . . 10.0 111.848 -174.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -53.34 -43.32 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.489 170.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.97 -45.66 91.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.231 -0.414 . . . . 10.0 110.655 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.16 -45.45 93.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.01 0.823 . . . . 10.0 111.021 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -53.44 -49.36 67.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.499 -0.75 . . . . 10.0 109.706 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -56.44 -48.11 77.69 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.035 0.934 . . . . 10.0 111.545 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.13 -44.41 94.94 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.347 1.059 . . . . 10.0 109.914 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.93 -47.44 80.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.739 -0.601 . . . . 10.0 110.428 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -49.84 -51.34 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 118.906 0.776 . . . . 10.0 110.404 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -53.07 -52.21 59.29 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.765 -0.585 . . . . 10.0 110.628 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -52.97 -42.1 65.19 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.754 0.707 . . . . 10.0 112.055 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.44 -52.19 66.37 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.44 1.018 . . . . 10.0 109.561 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.6 t -53.88 -50.86 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.727 -0.654 . . . . 10.0 110.025 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -58.48 -47.16 84.97 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.734 0.697 . . . . 10.0 112.002 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.52 98.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.573 0.749 . . . . 10.0 110.408 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.24 -62.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.619 -0.882 . . . . 10.0 108.619 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -130.55 98.88 19.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 127.256 2.222 . . . . 10.0 109.868 -169.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.23 107.34 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 121.678 1.585 . . . . 10.0 109.945 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -68.32 137.84 91.54 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-O 118.911 -0.566 . . . . 10.0 110.273 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.68 -38.81 37.53 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.21 2.606 . . . . 10.0 112.764 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -151.06 138.06 11.78 Favored Pre-proline 0 N--CA 1.452 -0.345 0 N-CA-C 107.442 -1.318 . . . . 10.0 107.442 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -45.69 -39.75 18.37 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.244 2.629 . . . . 10.0 112.963 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.92 18.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.421 0.688 . . . . 10.0 112.736 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.48 -13.36 62.09 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.784 0.833 . . . . 10.0 112.579 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.6 mt -54.93 -37.48 66.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.123 0.874 . . . . 10.0 112.083 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -78.92 56.52 1.96 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.737 -0.602 . . . . 10.0 111.571 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -126.89 145.45 50.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.174 1.39 . . . . 10.0 110.095 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -50.45 -42.53 54.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.009 1.324 . . . . 10.0 112.173 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.64 -56.54 6.22 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 80.5 mmm -51.44 -38.31 53.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.373 1.069 . . . . 10.0 112.713 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -43.64 -36.36 2.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.182 0.993 . . . . 10.0 112.733 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.36 -48.74 71.91 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.864 -0.523 . . . . 10.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.49 -43.86 96.04 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -54.8 -52.57 41.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.337 0.655 . . . . 10.0 109.69 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.9 -50.94 69.3 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.255 0.622 . . . . 10.0 110.897 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -54.4 -51.7 64.06 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 122.632 0.373 . . . . 10.0 110.488 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.55 82.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.219 0.608 . . . . 10.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.51 -53.24 59.79 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.309 0.504 . . . . 10.0 110.319 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -52.31 -55.06 23.95 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.37 0.668 . . . . 10.0 110.943 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.88 -46.57 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 122.916 0.487 . . . . 10.0 110.664 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.37 -47.57 81.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 119.152 0.887 . . . . 10.0 110.247 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.59 -55.8 20.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.565 -1.014 . . . . 10.0 110.565 174.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -49.99 -51.5 41.18 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.415 0.686 . . . . 10.0 110.997 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.7 mmt -61.83 -42.61 99.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.055 -0.497 . . . . 10.0 111.387 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -56.26 -48.76 75.92 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.693 0.678 . . . . 10.0 110.14 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -64.11 -35.48 80.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.363 0.665 . . . . 10.0 112.404 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.8 m -78.43 -46.74 19.05 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 117.17 4.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.181 1.392 . . . . 10.0 114.279 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 p30 -72.88 -8.26 54.77 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.508 1.123 . . . . 10.0 113.367 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -158.4 152.62 24.12 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.967 -1.124 . . . . 10.0 107.967 -174.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.1 -40.75 74.15 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.426 0.69 . . . . 10.0 110.09 170.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.58 -47.89 80.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.379 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -58.77 -52.6 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 176.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -47.08 -52.11 16.03 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.737 1.215 . . . . 10.0 111.551 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.93 -54.27 48.12 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.786 -0.571 . . . . 10.0 111.264 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -52.12 -62.66 1.5 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.253 0.621 . . . . 10.0 112.155 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.323 0.4 OUTLIER -65.68 -28.49 69.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.508 -0.758 . . . . 10.0 112.625 -175.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.36 -56.01 19.8 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 120.024 1.284 . . . . 10.0 110.183 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.8 70.44 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.291 -0.256 . . . . 10.0 110.584 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.08 -46.14 85.96 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.165 0.586 . . . . 10.0 110.949 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.94 -51.22 70.03 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.579 -0.701 . . . . 10.0 110.28 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.37 -54.39 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -50.05 -55.07 16.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 10.0 109.572 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -57.5 -52.11 66.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.258 0.623 . . . . 10.0 111.826 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.5 mt -50.0 -52.87 12.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -56.31 -58.5 7.71 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.505 0.593 . . . . 10.0 111.337 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -48.51 -49.48 35.8 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.733 0.813 . . . . 10.0 112.31 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.32 -56.04 5.01 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.87 0.868 . . . . 10.0 111.32 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.1 tp -75.3 -42.05 55.61 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.562 1.145 . . . . 10.0 111.519 -169.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -109.37 77.79 1.09 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 106.968 -1.493 . . . . 10.0 106.968 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -19.6 108.59 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 128.841 2.856 . . . . 10.0 114.555 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -30.59 -18.69 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 130.813 3.645 . . . . 10.0 119.674 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.42 -40.71 7.74 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.076 1.307 . . . . 10.0 110.528 175.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -82.55 -36.1 26.59 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.165 1.386 . . . . 10.0 110.581 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.5 p 46.6 -111.8 0.36 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.014 1.326 . . . . 10.0 111.847 -169.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -84.85 -5.86 59.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.262 0.625 . . . . 10.0 112.157 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.2 tp . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.017 -1.468 . . . . 10.0 110.049 178.702 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.38 -0.23 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -55.09 -37.33 66.67 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.12 -0.987 . . . . 10.0 110.55 172.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -47.81 -52.73 17.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.922 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -53.87 -56.58 16.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.51 1.524 . . . . 10.0 108.202 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -49.56 -53.16 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 122.996 0.519 . . . . 10.0 109.832 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -65.14 -58.19 6.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.635 -0.698 . . . . 10.0 111.777 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.69 -42.74 71.79 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.499 1.045 . . . . 10.0 110.825 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.21 -49.98 73.6 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.89 0.876 . . . . 10.0 111.124 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.22 -54.86 40.77 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.491 0.662 . . . . 10.0 109.663 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.94 -38.93 80.13 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.44 1.096 . . . . 10.0 111.669 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 57.8 tp -48.02 -50.98 25.86 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.435 0.694 . . . . 10.0 110.496 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.49 -53.26 20.02 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 26.0 mmt -48.29 -42.56 31.22 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.696 -0.627 . . . . 10.0 112.499 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 59.7 p -56.43 -23.88 41.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.889 0.876 . . . . 10.0 113.309 -175.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.9 m -51.51 -35.4 40.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.863 -0.589 . . . . 10.0 112.192 -173.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.1 -53.67 55.71 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.315 0.961 . . . . 10.0 111.091 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -42.22 86.03 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 121.89 -0.506 . . . . 10.0 109.648 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -56.97 -47.61 80.36 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.568 0.347 . . . . 10.0 110.078 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.9 tp -59.91 -58.63 7.7 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.324 1.45 . . . . 10.0 109.201 175.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -52.4 -37.03 55.56 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.836 0.289 . . . . 10.0 111.191 -176.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.66 -75.5 0.41 Allowed Glycine 0 CA--C 1.532 1.131 0 N-CA-C 111.471 -0.652 . . . . 10.0 111.471 169.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -55.09 -44.58 75.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.79 0.836 . . . . 10.0 112.798 -169.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.41 -19.35 63.81 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.807 0.843 . . . . 10.0 111.836 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -95.47 -41.75 8.81 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.684 0.674 . . . . 10.0 110.65 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.504 -1.236 . . . . 10.0 111.261 -176.703 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.204 0 N-CA-C 111.566 -0.614 . . . . 10.0 111.566 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -76.84 64.28 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.684 0.793 . . . . 10.0 111.224 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -28.77 -61.15 0.12 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.319 2.248 . . . . 10.0 113.898 -173.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -112.27 22.19 14.99 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.377 1.071 . . . . 10.0 110.943 -171.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.52 -73.36 0.77 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -52.67 -24.85 9.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.763 1.225 . . . . 10.0 111.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -34.25 -44.85 0.2 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.251 1.82 . . . . 10.0 111.293 169.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.75 -33.69 10.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.852 1.261 . . . . 10.0 113.429 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -75.05 -18.39 60.32 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.584 1.154 . . . . 10.0 112.379 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.63 130.16 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.461 0.705 . . . . 10.0 111.875 -169.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -88.05 158.41 18.61 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.092 0.957 . . . . 10.0 111.123 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -57.77 -42.6 84.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.913 0.885 . . . . 10.0 108.97 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.04 -49.32 71.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.126 0.971 . . . . 10.0 110.173 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.7 -48.06 83.19 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.974 -0.536 . . . . 10.0 110.915 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -52.58 -50.6 62.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.48 1.036 . . . . 10.0 110.594 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.2 m -55.08 -52.2 63.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.116 0.966 . . . . 10.0 110.964 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -66.4 -31.34 72.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.726 0.811 . . . . 10.0 110.656 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -67.63 -50.78 56.37 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.924 -1.11 . . . . 10.0 110.383 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.51 -50.7 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 171.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -49.04 -51.63 30.04 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.555 -0.735 . . . . 10.0 110.835 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -40.48 72.98 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 119.088 0.858 . . . . 10.0 110.099 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 72' ' ' ILE . 23.5 mt -55.82 -58.16 9.01 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 174.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -54.32 -63.14 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -38.43 -50.18 1.5 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.697 2.799 . . . . 10.0 112.494 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.75 -54.08 18.13 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 122.035 -0.416 . . . . 10.0 110.671 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.88 -39.57 82.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 122.827 0.451 . . . . 10.0 110.48 -176.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -151.94 103.02 2.83 Favored Pre-proline 0 N--CA 1.449 -0.501 0 C-N-CA 127.359 2.264 . . . . 10.0 107.796 -169.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.3 125.11 12.97 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.549 1.499 . . . . 10.0 110.802 -173.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 p -69.9 118.94 68.08 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.698 1.199 . . . . 10.0 110.161 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.74 -43.38 59.73 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.659 2.239 . . . . 10.0 112.468 173.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -162.85 147.04 9.05 Favored Pre-proline 0 CA--C 1.53 0.183 0 N-CA-C 106.797 -1.557 . . . . 10.0 106.797 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.03 -44.54 14.96 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.819 2.346 . . . . 10.0 113.393 172.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.63 -31.48 62.34 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.614 -0.679 . . . . 10.0 112.18 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.57 -25.41 59.95 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.978 -0.451 . . . . 10.0 111.474 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.65 -18.65 32.46 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.43 0.559 . . . . 10.0 112.36 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -66.29 -21.05 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.641 0.655 . . . . 10.0 112.299 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.7 149.43 39.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.889 0.768 . . . . 10.0 110.912 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -63.63 -51.68 64.14 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.189 0.596 . . . . 10.0 112.207 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -59.78 -44.77 93.74 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -57.14 -53.05 62.45 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.791 -0.623 . . . . 10.0 110.511 174.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.13 -40.85 67.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.227 0.921 . . . . 10.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -62.25 -46.18 90.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.826 -0.546 . . . . 10.0 110.902 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.3 -38.99 93.02 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.436 -0.79 . . . . 10.0 110.973 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.32 -48.84 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.254 1.422 . . . . 10.0 109.086 172.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.75 80.27 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.951 -0.468 . . . . 10.0 110.543 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -54.71 -50.75 67.55 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.386 -0.196 . . . . 10.0 110.476 174.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.9 -47.88 76.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.924 0.489 . . . . 10.0 111.187 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.18 -53.06 61.63 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.197 0.599 . . . . 10.0 110.52 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -52.6 -56.78 12.92 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.483 0.713 . . . . 10.0 110.332 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -42.65 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -57.39 -48.15 79.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.97 0.804 . . . . 10.0 110.207 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.56 -50.35 57.51 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.457 -0.657 . . . . 10.0 111.457 174.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.62 -50.85 64.81 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.164 -0.609 . . . . 10.0 110.658 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.12 -41.58 96.95 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 119.413 -0.327 . . . . 10.0 111.122 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.0 -51.24 64.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.975 0.51 . . . . 10.0 110.415 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -63.29 -40.33 97.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.085 0.554 . . . . 10.0 111.125 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 m -67.72 -42.92 81.15 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.926 -0.484 . . . . 10.0 112.186 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.25 121.01 19.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.715 1.206 . . . . 10.0 111.905 -169.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.68 22.85 5.87 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.679 -0.638 . . . . 10.0 110.373 173.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 t -165.63 148.97 7.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -53.31 -46.28 69.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.145 0.978 . . . . 10.0 109.278 169.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.24 -42.25 98.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.072 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.28 -53.44 57.65 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -46.53 -51.31 15.73 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.574 1.15 . . . . 10.0 111.325 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -56.05 -56.97 14.38 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.774 -0.579 . . . . 10.0 111.353 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.73 -58.19 8.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.325 0.4 OUTLIER -66.38 -28.02 68.32 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.643 -0.661 . . . . 10.0 112.169 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.18 -52.65 57.94 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 119.762 1.164 . . . . 10.0 110.387 169.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.16 -47.74 71.62 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.369 . . . . 10.0 110.593 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -57.58 -49.41 76.48 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.006 0.523 . . . . 10.0 110.787 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -54.64 -50.72 67.46 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.886 -0.509 . . . . 10.0 110.296 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.414 HD11 HD23 ' A' ' 22' ' ' LEU . 96.7 mt -53.2 -51.07 42.98 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 175.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -55.5 16.21 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.629 0.772 . . . . 10.0 109.409 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -56.89 -50.08 73.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.006 -0.521 . . . . 10.0 111.808 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.03 -53.54 10.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.979 0.809 . . . . 10.0 109.57 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.67 -48.66 80.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.103 0.41 . . . . 10.0 110.525 -176.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -57.22 -55.84 29.57 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.787 0.435 . . . . 10.0 111.85 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -66.79 -50.5 62.47 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.528 0.731 . . . . 10.0 111.635 -175.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.5 tp -79.98 -9.23 59.67 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.091 1.756 . . . . 10.0 112.81 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -37.08 -48.01 0.78 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.553 1.541 . . . . 10.0 113.797 -172.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.55 -47.74 57.62 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.013 0.525 . . . . 10.0 111.884 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -74.35 -36.98 63.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.443 0.697 . . . . 10.0 109.945 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.8 mtp-105 -56.7 -33.63 66.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.207 0.458 . . . . 10.0 111.245 172.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 mtm105 -73.71 -57.44 3.98 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.107 -0.995 . . . . 10.0 108.934 169.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -77.29 59.12 1.75 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.368 1.067 . . . . 10.0 112.298 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -74.99 75.05 2.2 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.725 -0.609 . . . . 10.0 111.751 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.038 -1.458 . . . . 10.0 110.405 169.422 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.513 -0.181 . . . . 10.0 110.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -44.78 -55.21 5.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.299 1.04 . . . . 10.0 111.333 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -61.54 -36.07 79.54 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.304 -0.862 . . . . 10.0 111.277 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -50.88 61.39 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.28 -51.47 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -66.18 -49.0 68.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 119.032 -0.509 . . . . 10.0 111.488 -173.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.16 -42.53 95.13 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.826 0.739 . . . . 10.0 110.015 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.13 -53.45 57.9 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.652 0.381 . . . . 10.0 110.501 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.62 -48.09 80.38 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.948 0.499 . . . . 10.0 110.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.86 -38.06 89.72 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.421 1.089 . . . . 10.0 112.109 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.4 -54.34 14.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.07 0.948 . . . . 10.0 110.644 -174.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -53.4 49.19 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 -177.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 18.5 mmt -42.17 -48.52 4.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.678 1.191 . . . . 10.0 111.339 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.7 p -69.55 -9.45 54.03 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.36 1.245 . . . . 10.0 114.36 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.4 m -46.85 -55.64 7.63 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.801 1.037 . . . . 10.0 113.801 -169.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.09 -40.95 77.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.685 1.584 . . . . 10.0 112.221 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.66 -51.96 67.15 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -49.0 72.8 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.697 0.799 . . . . 10.0 110.379 175.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.5 tp -53.66 -60.93 2.68 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.07 1.748 . . . . 10.0 109.619 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -61.03 -39.03 88.24 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.117 -0.633 . . . . 10.0 110.186 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.7 -36.36 8.2 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.71 1.148 . . . . 10.0 112.958 173.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -55.01 -19.92 8.01 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.291 1.045 . . . . 10.0 113.039 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -60.43 -24.23 65.03 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.372 0.987 . . . . 10.0 112.62 175.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.22 63.04 1.83 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.389 0.676 . . . . 10.0 112.018 -172.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.252 1.203 0 CA-C-O 117.388 -1.291 . . . . 10.0 109.676 172.018 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 112.118 -0.393 . . . . 10.0 112.118 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.4 m -87.51 159.93 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 122.795 0.438 . . . . 10.0 110.293 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.6 mmm-85 0.66 -100.41 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 129.068 2.947 . . . . 10.0 115.571 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -83.42 12.57 5.35 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.606 1.094 . . . . 10.0 112.859 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.34 -69.67 1.36 Allowed Glycine 0 CA--C 1.526 0.759 0 O-C-N 120.66 -1.275 . . . . 10.0 110.378 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -53.07 -35.97 60.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.09 0.956 . . . . 10.0 111.807 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -39.36 -39.57 0.68 Allowed 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.683 1.593 . . . . 10.0 112.548 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -49.94 -35.06 22.59 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.171 0.988 . . . . 10.0 113.276 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -104.27 15.44 28.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.16 88.46 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 124.063 0.945 . . . . 10.0 108.517 172.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 p -87.97 163.31 16.39 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.903 1.681 . . . . 10.0 111.916 -171.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -43.15 -43.92 4.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.04 1.736 . . . . 10.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.92 -44.58 89.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.772 -0.58 . . . . 10.0 111.448 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.9 tp -63.78 -45.05 91.47 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -53.61 -46.58 70.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.008 -0.433 . . . . 10.0 110.501 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -58.05 -50.15 74.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.842 0.857 . . . . 10.0 111.194 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -63.9 -36.93 85.55 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.833 -0.542 . . . . 10.0 110.467 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.43 -48.31 78.31 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.075 -1.015 . . . . 10.0 110.77 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.92 -49.06 28.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.685 0.675 . . . . 10.0 109.854 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -54.09 -50.65 66.34 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.035 -0.507 . . . . 10.0 110.653 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.67 -43.72 72.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.866 0.757 . . . . 10.0 111.305 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.0 mt -54.07 -54.74 35.26 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.228 0.922 . . . . 10.0 109.68 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.27 -53.84 17.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 CA-C-O 118.368 -0.825 . . . . 10.0 109.653 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -55.81 -51.81 66.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.037 0.835 . . . . 10.0 111.682 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.34 88.82 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.254 0.622 . . . . 10.0 111.233 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.25 -39.95 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 122.626 0.37 . . . . 10.0 110.458 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -155.17 99.83 2.32 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.578 1.551 . . . . 10.0 110.368 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.84 119.57 6.62 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.6 1.533 . . . . 10.0 109.582 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p -75.66 121.05 84.32 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 117.743 -1.123 . . . . 10.0 110.682 -170.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.52 -41.36 60.83 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.047 2.498 . . . . 10.0 113.196 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -158.56 139.29 9.26 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 117.513 -1.232 . . . . 10.0 107.895 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -43.29 -44.03 10.25 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.359 2.706 . . . . 10.0 113.452 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.8 50.35 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.701 -0.624 . . . . 10.0 112.115 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -25.63 39.02 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.746 0.818 . . . . 10.0 111.981 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -55.37 -19.28 8.51 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -59.09 -29.05 67.06 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.773 0.715 . . . . 10.0 112.693 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.48 136.63 54.92 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.582 -0.699 . . . . 10.0 110.775 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -46.27 18.11 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.6 1.16 . . . . 10.0 112.759 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -58.97 -46.46 88.03 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.0 mmm -64.1 -47.48 79.88 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 118.805 -0.617 . . . . 10.0 109.944 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.47 -44.05 65.33 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.132 0.878 . . . . 10.0 110.812 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.34 -45.61 92.43 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.984 -0.447 . . . . 10.0 111.028 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.96 -43.79 97.83 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.491 -0.755 . . . . 10.0 110.94 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.5 -51.24 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 125.341 1.457 . . . . 10.0 108.797 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.95 73.86 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.532 0.333 . . . . 10.0 110.727 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -54.95 -49.81 70.43 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.078 0.399 . . . . 10.0 110.825 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.76 -46.47 87.39 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.892 0.477 . . . . 10.0 111.013 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.21 -53.53 56.05 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.9 0.48 . . . . 10.0 110.516 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -53.42 -51.91 61.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.417 0.687 . . . . 10.0 110.72 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -44.23 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 119.356 -0.354 . . . . 10.0 110.554 -176.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -54.4 -46.15 73.05 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.946 0.794 . . . . 10.0 110.232 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.22 -55.21 22.86 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.759 -0.936 . . . . 10.0 110.759 173.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.25 -49.51 61.02 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.218 0.607 . . . . 10.0 110.842 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mmt -61.85 -46.98 87.09 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.339 -0.226 . . . . 10.0 111.296 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.54 -43.16 75.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.094 0.958 . . . . 10.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.72 -46.77 71.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.83 0.852 . . . . 10.0 111.689 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -69.04 -41.56 77.5 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 113.18 3.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -169.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -57.09 -30.93 64.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.029 1.332 . . . . 10.0 113.207 171.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 p -143.99 163.46 33.41 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.185 0.994 . . . . 10.0 110.028 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -56.83 -44.71 82.34 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.39 -55.54 18.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.92 0.888 . . . . 10.0 110.193 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -54.9 -51.32 66.38 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -51.67 -51.66 54.11 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.115 0.966 . . . . 10.0 111.767 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -60.25 -48.8 80.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.992 -0.442 . . . . 10.0 110.631 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -54.52 -62.34 1.72 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 119.271 -0.395 . . . . 10.0 111.925 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.86 -30.14 70.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.275 0.943 . . . . 10.0 112.988 -175.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.2 mt -64.62 -55.06 22.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.069 1.304 . . . . 10.0 110.749 171.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.71 78.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.104 -0.372 . . . . 10.0 110.165 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.74 -45.91 92.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.687 0.795 . . . . 10.0 110.886 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -53.23 -52.58 58.48 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.701 0.682 . . . . 10.0 109.895 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.0 mt -53.51 -54.83 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.882 0.373 . . . . 10.0 110.445 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.83 -53.6 18.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.881 1.672 . . . . 10.0 109.474 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -55.93 -54.08 49.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.602 -0.714 . . . . 10.0 111.102 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.97 -58.84 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 119.001 0.818 . . . . 10.0 109.736 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -52.17 -59.07 4.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.884 0.311 . . . . 10.0 111.142 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -49.52 73.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.84 1.256 . . . . 10.0 111.638 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -63.42 -52.43 61.59 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.66 0.743 . . . . 10.0 110.911 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.81 -44.57 69.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.85 0.86 . . . . 10.0 112.04 -169.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -35.35 66.8 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.702 0.801 . . . . 10.0 112.32 -175.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -51.68 -42.95 62.54 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.054 -0.403 . . . . 10.0 110.532 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -14.38 62.05 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.224 0.61 . . . . 10.0 111.468 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -83.02 -54.04 5.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.45 -0.945 . . . . 10.0 108.45 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -68.81 -37.9 79.54 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.827 1.047 . . . . 10.0 113.827 -171.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.5 m -73.71 41.6 0.12 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.397 1.628 . . . . 10.0 115.397 -169.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -82.71 68.21 9.09 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.084 -1.01 . . . . 10.0 108.827 173.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.251 1.135 0 CA-C-O 117.318 -1.325 . . . . 10.0 108.982 -177.334 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -92.42 -73.1 0.56 Allowed 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 123.83 0.852 . . . . 10.0 111.384 -172.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -52.09 -36.17 50.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.437 0.695 . . . . 10.0 111.366 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.86 -40.88 4.76 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.666 1.186 . . . . 10.0 111.894 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.1 mm -53.43 -53.16 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.145 0.978 . . . . 10.0 110.208 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -49.11 40.68 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 -169.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.91 -38.72 76.37 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.692 -0.194 . . . . 10.0 110.825 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.22 -51.8 67.46 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.357 0.663 . . . . 10.0 110.806 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.97 -55.0 35.62 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.508 0.67 . . . . 10.0 109.95 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.74 -42.28 78.99 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.826 0.85 . . . . 10.0 111.908 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.04 -52.01 37.68 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 123.966 0.906 . . . . 10.0 110.31 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.65 -54.83 16.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 62.3 mtt -51.58 -36.54 45.81 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 40.6 m -69.51 -13.32 62.28 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 14.5 m -51.32 -48.31 62.41 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.561 1.528 . . . . 10.0 111.685 -175.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -60.96 -42.95 99.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.024 -0.423 . . . . 10.0 111.529 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -56.37 -45.76 80.35 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -57.87 10.72 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 174.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.0 -37.31 76.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.011 0.745 . . . . 10.0 113.011 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -78.09 57.64 1.84 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.803 0.841 . . . . 10.0 111.827 -174.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.86 -41.18 2.25 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.798 1.19 . . . . 10.0 113.47 169.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -62.96 -39.48 94.8 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.373 0.587 . . . . 10.0 111.279 -169.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -70.45 79.73 0.56 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.049 0.54 . . . . 10.0 109.602 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.04 146.62 14.22 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.886 0.475 . . . . 10.0 109.951 169.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.161 -1.399 . . . . 10.0 110.253 -177.331 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.19 0 N-CA-C 111.304 -0.718 . . . . 10.0 111.304 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 m -64.31 102.45 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.726 0.41 . . . . 10.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.6 mmt-85 -67.43 -33.06 74.38 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.744 -0.597 . . . . 10.0 110.595 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -132.95 153.39 51.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.597 1.559 . . . . 10.0 107.279 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.67 30.93 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 118.915 0.779 . . . . 10.0 111.352 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -60.48 -20.94 61.7 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.864 0.865 . . . . 10.0 112.989 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -55.83 -32.79 63.9 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.776 0.83 . . . . 10.0 111.511 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -38.33 -37.69 0.31 Allowed 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.575 1.55 . . . . 10.0 112.788 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -106.63 5.61 29.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.993 1.109 . . . . 10.0 113.993 -171.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.96 111.68 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 119.318 0.963 . . . . 10.0 110.311 -174.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.6 p -78.74 163.5 25.34 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 122.239 1.019 . . . . 10.0 112.376 -174.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -60.75 -43.78 97.55 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.704 -1.135 . . . . 10.0 109.741 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.57 -48.52 69.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 10.0 110.398 174.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.84 -52.19 66.51 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 119.249 -0.405 . . . . 10.0 110.982 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -51.63 -47.96 63.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.077 0.853 . . . . 10.0 111.682 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -61.43 -45.3 94.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.159 0.984 . . . . 10.0 110.845 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -69.89 -33.15 71.83 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.514 -0.742 . . . . 10.0 110.333 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.64 -47.34 84.17 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.389 -1.444 . . . . 10.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.36 -47.51 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.17 -48.72 67.78 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.67 -0.644 . . . . 10.0 111.869 174.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -55.83 -45.5 78.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.899 -0.572 . . . . 10.0 111.048 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.32 -52.79 60.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.801 0.728 . . . . 10.0 109.757 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.2 t -52.57 -50.28 40.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 117.995 -1.002 . . . . 10.0 109.927 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -59.85 -47.87 83.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 10.0 111.154 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.09 -36.74 84.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.427 0.691 . . . . 10.0 111.415 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.16 -37.72 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.464 0.706 . . . . 10.0 110.769 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -156.51 91.22 2.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 126.34 1.856 . . . . 10.0 110.517 -168.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.42 114.8 1.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.815 2.343 . . . . 10.0 110.893 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -83.1 131.22 54.32 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 -171.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.71 -40.9 9.09 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.51 2.14 . . . . 10.0 112.126 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -155.78 140.23 11.81 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-O 117.595 -1.193 . . . . 10.0 108.285 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -42.61 -45.63 8.35 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.459 2.773 . . . . 10.0 113.802 172.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.4 -32.39 57.08 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 10.0 112.211 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.53 -24.86 61.62 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.128 0.571 . . . . 10.0 111.592 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.76 -20.9 24.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.421 0.555 . . . . 10.0 112.214 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -66.25 -19.48 65.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.13 149.56 47.46 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.962 0.801 . . . . 10.0 111.023 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.93 77.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.095 0.558 . . . . 10.0 111.849 -174.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -63.73 -46.6 84.65 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 79.2 mmm -53.49 -53.39 52.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 119.33 -0.367 . . . . 10.0 110.298 171.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.03 -40.91 64.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.561 0.744 . . . . 10.0 111.396 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -60.72 -47.55 85.76 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.837 -0.54 . . . . 10.0 110.891 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.74 -43.34 99.07 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.529 -0.732 . . . . 10.0 110.708 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.56 -49.94 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.5 1.12 . . . . 10.0 109.238 174.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.41 77.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.708 0.403 . . . . 10.0 110.927 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.38 -49.33 72.59 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.132 -0.355 . . . . 10.0 110.858 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.64 90.55 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.89 0.476 . . . . 10.0 111.022 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -56.12 -52.57 63.87 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.943 0.497 . . . . 10.0 110.244 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -53.22 -55.84 21.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.268 0.627 . . . . 10.0 110.377 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -45.63 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 119.324 -0.37 . . . . 10.0 110.612 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.09 -45.45 75.42 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.092 0.86 . . . . 10.0 110.743 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.78 -54.08 32.75 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -51.77 -49.52 62.48 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.381 0.672 . . . . 10.0 110.682 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 19.8 mmt -60.4 -43.82 96.3 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.188 -0.435 . . . . 10.0 110.97 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.13 -50.97 67.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.31 0.505 . . . . 10.0 110.153 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -64.25 -37.14 86.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.075 0.55 . . . . 10.0 111.68 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 m -68.2 -41.03 81.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.611 0.72 . . . . 10.0 111.851 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.29 103.27 1.56 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.433 1.093 . . . . 10.0 112.974 -169.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.42 -23.14 62.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.88 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -144.57 167.53 22.3 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.767 0.827 . . . . 10.0 110.093 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.02 -46.55 88.71 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.555 1.542 . . . . 10.0 110.26 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -48.25 -53.33 17.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.988 0.515 . . . . 10.0 110.875 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -57.15 -52.05 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.014 -0.517 . . . . 10.0 110.029 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -46.29 -51.13 15.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.273 0.629 . . . . 10.0 112.077 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -64.18 -49.77 70.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.97 -0.456 . . . . 10.0 111.206 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -53.72 -60.47 3.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -177.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.4 OUTLIER -66.23 -30.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.985 0.811 . . . . 10.0 112.831 -174.207 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 mt -65.31 -51.99 57.0 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.553 1.069 . . . . 10.0 110.74 172.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.14 83.41 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.76 -0.588 . . . . 10.0 110.412 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.12 -49.15 76.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.765 0.826 . . . . 10.0 110.372 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -52.07 -53.01 47.5 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.325 0.65 . . . . 10.0 110.211 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.91 -52.65 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.193 0.521 . . . . 10.0 111.019 175.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.48 -51.57 64.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.225 1.01 . . . . 10.0 109.292 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -56.64 -50.44 72.05 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-O 118.434 -0.793 . . . . 10.0 111.432 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.12 -58.96 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 119.29 0.95 . . . . 10.0 109.461 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -53.46 -55.18 27.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.507 0.594 . . . . 10.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -55.35 -48.02 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -68.7 -45.27 72.05 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.763 0.825 . . . . 10.0 110.817 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.16 -39.71 63.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.69 1.196 . . . . 10.0 110.905 -170.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -72.64 70.54 0.94 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.289 0.636 . . . . 10.0 109.739 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -46.13 -35.09 4.7 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.324 1.45 . . . . 10.0 113.263 -174.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -45.46 -47.83 13.91 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.709 1.204 . . . . 10.0 110.918 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -50.78 -58.63 5.46 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.809 0.844 . . . . 10.0 109.836 176.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.1 mtm105 -61.29 -37.54 83.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.676 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.8 p -62.85 -47.17 84.55 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.078 0.399 . . . . 10.0 110.187 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 59.9 mmt-85 -80.25 60.1 3.6 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 176.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.967 1.707 . . . . 10.0 114.399 -169.865 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.463 -0.303 . . . . 10.0 111.646 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -11.11 -72.38 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 128.368 2.667 . . . . 10.0 115.894 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.01 -47.27 85.82 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.173 0.589 . . . . 10.0 110.845 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -59.9 -44.11 94.43 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.206 0.602 . . . . 10.0 110.023 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.27 -49.99 59.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -62.75 -46.77 86.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 119.477 -0.297 . . . . 10.0 110.792 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -55.84 -49.46 73.23 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.257 0.48 . . . . 10.0 111.205 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.23 -50.61 72.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.165 0.986 . . . . 10.0 110.141 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.94 -48.26 76.05 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.244 0.618 . . . . 10.0 109.896 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.27 -41.21 97.02 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.121 1.369 . . . . 10.0 112.092 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 tp -44.65 -48.54 10.54 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 125.319 1.448 . . . . 10.0 111.778 -173.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -39.57 84.92 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.05 -0.406 . . . . 10.0 110.63 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 28.7 mtt -73.99 -39.51 63.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.88 0.872 . . . . 10.0 110.632 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.2 p -51.11 -29.38 13.15 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.47 0.708 . . . . 10.0 112.714 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m -37.84 -47.25 1.01 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.973 1.309 . . . . 10.0 111.841 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.82 -31.69 68.69 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.527 0.731 . . . . 10.0 111.986 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -80.49 -43.98 19.93 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.956 0.902 . . . . 10.0 109.659 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -54.63 -43.73 72.55 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.996 0.427 . . . . 10.0 110.523 174.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mp -93.77 20.74 7.22 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.337 1.855 . . . . 10.0 111.459 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 4.22 70.33 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 129.727 3.211 . . . . 10.0 115.314 -170.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.58 75.36 0.38 Allowed Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.912 1.72 . . . . 10.0 110.55 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -88.12 3.69 48.21 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.478 1.111 . . . . 10.0 112.399 -175.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.05 76.62 1.72 Allowed 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 119.502 1.046 . . . . 10.0 109.775 176.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.66 -64.51 0.47 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.326 1.45 . . . . 10.0 112.904 -175.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 C--O 1.252 1.22 0 CA-C-O 116.75 -1.595 . . . . 10.0 108.509 -174.846 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.229 0 N-CA-C 111.658 -0.577 . . . . 10.0 111.658 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 m -75.87 66.17 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.572 1.149 . . . . 10.0 110.928 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -60.97 -30.75 70.44 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 -170.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -110.27 144.94 38.23 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.875 0.87 . . . . 10.0 109.212 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.89 49.87 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.675 -0.57 . . . . 10.0 111.675 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.43 -9.63 58.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.751 0.82 . . . . 10.0 112.822 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -50.4 -46.36 56.2 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.837 0.744 . . . . 10.0 109.779 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.83 -30.54 14.6 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.841 0.856 . . . . 10.0 112.601 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -78.76 -42.73 27.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.447 0.699 . . . . 10.0 110.453 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.39 89.64 1.94 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 123.419 0.688 . . . . 10.0 109.919 -178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.7 p -59.44 166.0 2.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.874 1.27 . . . . 10.0 112.261 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -58.2 -48.17 81.16 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.718 -1.128 . . . . 10.0 110.493 174.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.96 -47.63 77.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.361 0.664 . . . . 10.0 111.694 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.33 -48.82 79.6 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.765 1.166 . . . . 10.0 110.812 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -60.92 -34.91 75.42 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 120.829 -1.169 . . . . 10.0 111.879 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 m -58.44 -47.76 82.93 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.849 0.75 . . . . 10.0 111.067 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -62.22 -39.61 93.36 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.752 -0.593 . . . . 10.0 110.595 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.45 -47.14 80.19 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.215 -0.928 . . . . 10.0 110.92 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 t -48.5 -51.7 10.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 118.906 0.776 . . . . 10.0 109.883 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -51.41 -53.19 39.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.865 -0.588 . . . . 10.0 110.796 174.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -51.95 -43.24 63.41 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.981 0.81 . . . . 10.0 111.756 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.96 -53.62 54.7 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 118.971 0.805 . . . . 10.0 109.882 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -52.89 -52.61 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 118.823 -0.608 . . . . 10.0 109.754 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -54.51 -49.7 69.6 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.77 0.713 . . . . 10.0 111.613 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.43 87.48 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.392 0.677 . . . . 10.0 111.678 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.11 -43.48 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.342 0.657 . . . . 10.0 110.248 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -166.24 100.0 0.71 Allowed Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.195 1.398 . . . . 10.0 109.234 -169.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.72 127.24 20.44 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.69 2.927 . . . . 10.0 112.553 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -67.79 121.85 81.21 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 117.619 -1.181 . . . . 10.0 110.02 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.02 -42.87 50.94 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.981 2.454 . . . . 10.0 113.045 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -161.76 144.66 9.11 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -43.83 -45.18 11.41 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.112 2.541 . . . . 10.0 113.532 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.38 -34.54 58.06 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.708 -0.62 . . . . 10.0 112.072 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.02 -29.87 58.3 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.304 0.641 . . . . 10.0 111.425 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt -52.76 -24.81 9.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.413 0.685 . . . . 10.0 112.246 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.25 -17.79 63.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.116 0.784 . . . . 10.0 113.116 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -94.79 139.35 31.4 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.134 0.879 . . . . 10.0 111.72 -172.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -30.04 -53.74 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.323 2.249 . . . . 10.0 112.928 172.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 tpt85 -53.85 -41.39 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.698 1.199 . . . . 10.0 111.582 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -46.95 14.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.658 0.383 . . . . 10.0 110.719 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -48.29 -38.5 18.99 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.435 0.694 . . . . 10.0 111.929 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -56.18 -48.02 77.17 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 173.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 mp -69.71 -41.8 74.86 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.752 -0.592 . . . . 10.0 109.637 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.19 -51.53 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.53 57.23 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.143 0.977 . . . . 10.0 111.085 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -53.07 -49.21 66.85 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.68 0.392 . . . . 10.0 110.733 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.6 -47.25 86.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.244 0.617 . . . . 10.0 110.692 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -55.04 -52.99 61.45 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.184 0.447 . . . . 10.0 110.66 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -53.12 -55.79 21.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.417 0.687 . . . . 10.0 110.974 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.76 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 122.703 0.401 . . . . 10.0 110.619 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -56.61 -46.79 80.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 121.679 -0.638 . . . . 10.0 109.929 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -58.34 8.02 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -48.9 -51.28 30.84 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.108 0.563 . . . . 10.0 111.071 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.4 mmt -61.19 -43.84 98.24 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 119.229 -0.415 . . . . 10.0 111.773 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -57.99 -45.59 86.58 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.509 0.595 . . . . 10.0 110.246 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.7 -38.58 80.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.789 0.436 . . . . 10.0 111.308 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 m -72.73 -46.2 54.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.551 0.691 . . . . 10.0 112.342 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 115.84 5.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.739 1.215 . . . . 10.0 111.461 -169.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.81 20.37 3.55 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.625 -0.672 . . . . 10.0 110.875 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -167.69 150.48 5.9 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.084 1.354 . . . . 10.0 108.118 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -56.02 -41.57 75.15 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.607 0.763 . . . . 10.0 110.058 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.17 -49.49 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -57.07 -54.82 42.47 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -47.31 -51.98 17.71 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.334 1.054 . . . . 10.0 112.141 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -59.31 -53.57 56.75 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.595 -0.69 . . . . 10.0 110.823 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -52.26 -63.29 1.19 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.966 0.506 . . . . 10.0 112.287 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.302 0.3 OUTLIER -66.95 -25.31 66.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.546 -0.74 . . . . 10.0 112.14 -173.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.8 mt -65.78 -53.24 42.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 120.027 1.285 . . . . 10.0 110.54 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.12 -45.39 75.54 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.079 -0.388 . . . . 10.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.98 -42.4 98.3 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.836 0.454 . . . . 10.0 110.944 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.94 -52.35 66.14 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.497 -0.752 . . . . 10.0 110.3 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 95.9 mt -50.63 -54.91 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.103 0.478 . . . . 10.0 109.784 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -50.96 -52.86 38.32 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.053 0.941 . . . . 10.0 110.004 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -57.36 -51.07 70.9 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 118.2 -0.905 . . . . 10.0 111.073 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.6 -57.96 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 120.301 1.41 . . . . 10.0 109.199 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -51.69 -58.62 5.86 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.31 0.504 . . . . 10.0 111.21 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -57.11 -55.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.06 0.944 . . . . 10.0 112.465 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -59.6 -50.39 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.126 0.97 . . . . 10.0 110.574 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.62 -38.95 90.86 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.28 0.632 . . . . 10.0 110.302 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.58 -60.81 2.7 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.623 0.769 . . . . 10.0 110.492 172.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -80.88 62.15 4.78 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.177 0.991 . . . . 10.0 111.493 -169.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -51.68 -35.36 42.33 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.235 1.014 . . . . 10.0 110.44 171.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -38.28 -47.48 1.2 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.722 1.609 . . . . 10.0 111.528 169.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.0 mtm105 -86.19 -59.36 2.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.268 0.627 . . . . 10.0 109.861 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.3 m -57.05 -26.23 59.99 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 -169.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -104.74 6.5 34.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.766 0.826 . . . . 10.0 111.752 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.182 -1.39 . . . . 10.0 110.822 -176.42 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -50.83 3.42 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.796 1.238 . . . . 10.0 113.487 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.55 -41.34 98.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.528 0.331 . . . . 10.0 110.668 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.31 89.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.9 -53.18 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.289 0.636 . . . . 10.0 109.815 175.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -64.71 -51.05 64.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.067 -0.492 . . . . 10.0 111.336 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -52.46 -51.34 59.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.575 0.625 . . . . 10.0 110.332 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.05 -52.25 64.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.274 1.029 . . . . 10.0 110.846 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.49 -49.55 76.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.633 0.73 . . . . 10.0 109.978 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.25 -37.16 84.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.259 1.423 . . . . 10.0 111.445 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 tp -49.24 -53.31 22.17 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.135 0.974 . . . . 10.0 110.626 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.13 -52.42 55.36 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 25.5 mmt -47.65 -40.91 21.04 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.972 0.509 . . . . 10.0 112.098 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 61.5 m -61.58 -25.97 67.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.437 1.273 . . . . 10.0 114.437 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -42.66 -52.57 4.82 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.924 1.238 . . . . 10.0 113.545 -169.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -56.65 -35.89 68.88 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -80.23 -39.15 29.61 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.373 0.669 . . . . 10.0 110.009 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.02 -42.41 69.08 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.97 0.508 . . . . 10.0 109.732 169.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mp -51.28 -40.32 58.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.917 0.887 . . . . 10.0 112.011 170.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -84.31 21.11 1.48 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.457 0.703 . . . . 10.0 111.474 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.27 22.87 74.8 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.532 1.063 . . . . 10.0 113.016 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.2 71.81 1.47 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.387 1.094 . . . . 10.0 110.935 -169.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -76.53 44.95 0.37 Allowed 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.365 -0.834 . . . . 10.0 110.808 173.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -89.02 -39.67 13.52 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.634 0.773 . . . . 10.0 110.262 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.099 -1.429 . . . . 10.0 109.754 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.301 0 N-CA-C 111.618 -0.593 . . . . 10.0 111.618 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.34 70.99 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.319 0.647 . . . . 10.0 109.517 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.27 115.61 17.19 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.402 0.681 . . . . 10.0 110.171 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.78 11.23 6.12 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.857 1.263 . . . . 10.0 110.392 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.74 -67.95 1.61 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 109.203 -1.559 . . . . 10.0 109.203 -169.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -71.38 -18.19 62.37 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.003 0.921 . . . . 10.0 112.411 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -45.56 -44.82 13.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.223 1.009 . . . . 10.0 110.472 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -38.71 -42.54 0.81 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 127.952 2.501 . . . . 10.0 112.842 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -89.09 -2.97 58.78 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.005 1.322 . . . . 10.0 111.933 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.56 89.9 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 123.965 0.906 . . . . 10.0 108.923 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 p -86.11 173.73 9.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.636 1.574 . . . . 10.0 111.038 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.71 -40.62 13.68 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.859 1.264 . . . . 10.0 111.7 176.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.11 -57.55 12.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.457 0.703 . . . . 10.0 109.58 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.45 -40.93 96.65 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 119.332 -0.366 . . . . 10.0 110.18 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -54.18 -50.1 67.81 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.18 0.9 . . . . 10.0 110.927 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 t -57.73 -51.88 67.74 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.241 0.616 . . . . 10.0 110.416 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -53.51 -44.51 69.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.717 0.807 . . . . 10.0 110.332 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.3 -47.52 76.31 Favored 'General case' 0 C--O 1.225 -0.221 0 O-C-N 121.61 -0.681 . . . . 10.0 111.368 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.7 t -53.24 -48.7 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 119.473 1.033 . . . . 10.0 110.268 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -52.28 -51.76 56.67 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.799 -0.563 . . . . 10.0 109.949 173.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.29 -36.33 73.16 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD11 ' A' ' 72' ' ' ILE . 90.0 mt -57.07 -54.14 50.12 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 120.111 1.323 . . . . 10.0 108.655 171.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.57 -51.38 43.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 118.074 -0.965 . . . . 10.0 109.741 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.47 -48.83 80.15 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 119.641 1.109 . . . . 10.0 112.271 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.77 84.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.617 -0.677 . . . . 10.0 111.238 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.39 -46.62 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 O-C-N 121.774 -0.579 . . . . 10.0 109.614 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -144.15 92.36 6.23 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 126.903 2.081 . . . . 10.0 110.346 -168.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -65.41 114.15 2.76 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.611 1.541 . . . . 10.0 109.226 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -79.55 120.0 78.8 Favored Pre-proline 0 N--CA 1.455 -0.22 0 CA-C-O 117.8 -1.095 . . . . 10.0 110.637 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.66 -40.23 55.88 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 123.167 2.578 . . . . 10.0 113.205 173.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.65 130.91 9.2 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 117.872 -1.061 . . . . 10.0 108.144 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.06 -42.15 12.7 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.765 2.977 . . . . 10.0 113.273 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.75 47.67 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.491 -0.756 . . . . 10.0 111.962 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -23.38 32.22 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 10.0 112.238 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.68 -25.15 3.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.497 0.719 . . . . 10.0 112.611 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -24.55 67.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.195 0.813 . . . . 10.0 113.195 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.37 137.02 57.22 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.441 -0.787 . . . . 10.0 110.848 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -40.62 -49.22 2.99 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.179 1.391 . . . . 10.0 113.321 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.64 -44.62 96.16 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.041 -0.412 . . . . 10.0 110.223 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.8 mmm -65.33 -45.41 84.38 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.029 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -53.85 -44.59 70.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.297 0.953 . . . . 10.0 110.529 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -48.12 81.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 122.117 -0.364 . . . . 10.0 110.677 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.47 -40.01 94.89 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.515 0.326 . . . . 10.0 110.822 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.81 -51.28 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.575 1.55 . . . . 10.0 108.68 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.32 72.76 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.579 0.352 . . . . 10.0 110.684 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -53.78 -51.84 62.13 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 122.42 0.288 . . . . 10.0 110.497 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.89 88.1 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.87 0.868 . . . . 10.0 111.106 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.29 -53.72 54.93 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.228 0.467 . . . . 10.0 110.186 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -51.55 -55.56 18.38 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.536 0.734 . . . . 10.0 110.252 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -47.71 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.649 0.78 . . . . 10.0 110.757 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -55.01 -48.51 73.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.463 1.028 . . . . 10.0 110.521 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.76 42.21 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.205 -0.758 . . . . 10.0 111.205 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.61 -48.55 66.24 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.552 0.741 . . . . 10.0 110.822 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 mmt -62.97 -43.25 99.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.059 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -55.74 -43.7 76.85 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.332 0.515 . . . . 10.0 110.415 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.54 -44.54 82.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.135 0.574 . . . . 10.0 111.74 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 m -70.49 -42.43 71.38 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 117.15 11.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.134 0.974 . . . . 10.0 112.038 -169.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.56 1.05 31.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.846 -0.534 . . . . 10.0 111.633 174.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.9 p -153.51 157.36 39.68 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 120.97 -1.081 . . . . 10.0 109.897 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -62.78 -44.11 97.03 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.37 0.668 . . . . 10.0 110.53 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.19 81.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 118.998 -0.525 . . . . 10.0 111.06 173.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.06 -50.54 73.68 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.988 0.813 . . . . 10.0 109.341 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -49.78 -51.96 35.51 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.982 0.913 . . . . 10.0 111.696 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.59 -52.82 63.39 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.636 -0.665 . . . . 10.0 110.931 173.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -55.56 -62.7 1.51 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.8 0.44 . . . . 10.0 112.101 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.336 0.3 OUTLIER -64.1 -26.53 68.58 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.791 0.723 . . . . 10.0 112.364 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.25 -57.08 10.47 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.799 1.181 . . . . 10.0 110.29 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.92 69.06 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.149 -0.344 . . . . 10.0 110.763 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.13 -49.48 71.69 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.21 0.604 . . . . 10.0 110.419 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -55.28 -51.1 67.78 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 118.955 0.798 . . . . 10.0 110.547 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.459 HD11 HD23 ' A' ' 22' ' ' LEU . 90.1 mt -51.4 -55.06 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.643 0.656 . . . . 10.0 109.941 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -52.85 41.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.853 1.261 . . . . 10.0 109.109 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -56.91 -52.4 65.34 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 117.757 -1.116 . . . . 10.0 111.275 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.9 -56.14 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 120.708 1.594 . . . . 10.0 109.396 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -51.23 -57.32 9.12 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.951 0.157 . . . . 10.0 110.748 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -59.0 -53.25 60.52 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.932 0.715 . . . . 10.0 112.932 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -60.54 -52.0 67.06 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.41 1.484 . . . . 10.0 110.327 -177.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 mp -80.01 -30.29 39.56 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.815 -0.612 . . . . 10.0 112.255 -173.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 0.67 -72.84 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 129.569 3.147 . . . . 10.0 116.263 -171.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -56.45 -41.4 76.43 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.91 -1.119 . . . . 10.0 112.017 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.5 -40.92 96.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 172.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.2 mmm-85 -61.1 -44.02 97.99 Favored 'General case' 0 C--O 1.227 -0.091 0 O-C-N 121.938 -0.476 . . . . 10.0 110.663 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -58.4 -51.28 70.48 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 174.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -73.66 72.13 1.44 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.484 0.714 . . . . 10.0 111.364 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 mmt-85 -65.32 55.63 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.106 1.762 . . . . 10.0 114.443 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 C--O 1.252 1.207 0 C-N-CA 125.2 1.4 . . . . 10.0 109.687 178.662 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 111.275 0.102 . . . . 10.0 111.275 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -30.01 -66.52 0.1 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.662 1.985 . . . . 10.0 113.371 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -67.93 -34.65 77.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.496 -0.775 . . . . 10.0 111.025 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.3 69.61 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 175.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.36 -54.32 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.366 0.667 . . . . 10.0 110.027 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -65.95 -46.51 77.9 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.319 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -56.72 -49.48 75.07 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.244 0.475 . . . . 10.0 110.034 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 41.8 tp -54.11 -52.9 59.55 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.295 0.638 . . . . 10.0 110.84 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.19 -54.7 43.91 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.527 0.679 . . . . 10.0 109.939 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.64 -42.07 78.27 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 125.423 1.489 . . . . 10.0 111.99 -174.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.41 -46.14 62.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.197 0.599 . . . . 10.0 111.155 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.54 -55.0 15.2 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 96.4 mmm -48.53 -39.68 24.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.418 0.687 . . . . 10.0 112.185 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 50.0 m -60.83 -15.98 36.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 49.2 m -52.87 -57.17 11.13 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.61 1.096 . . . . 10.0 111.878 -170.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.08 -46.54 65.23 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 119.13 0.877 . . . . 10.0 112.37 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -55.7 -46.43 77.67 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -65.39 -35.1 79.92 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.141 0.577 . . . . 10.0 111.719 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.51 -24.33 66.38 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.645 1.978 . . . . 10.0 111.687 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.43 64.57 0.85 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.928 0.871 . . . . 10.0 109.3 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.18 -68.08 2.68 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 125.378 1.466 . . . . 10.0 110.729 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -11.58 -66.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 128.85 2.86 . . . . 10.0 114.474 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -149.22 63.29 1.03 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 107.207 -1.405 . . . . 10.0 107.207 170.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.3 62.2 0.68 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.181 0.992 . . . . 10.0 112.914 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.25 -1.357 . . . . 10.0 108.457 176.829 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.157 0 N-CA-C 111.469 -0.653 . . . . 10.0 111.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.13 59.47 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 122.144 -0.621 . . . . 10.0 110.867 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -43.91 -54.23 5.49 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.172 1.389 . . . . 10.0 114.215 -169.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.24 14.53 21.95 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.732 0.413 . . . . 10.0 111.745 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.48 -64.16 2.55 Favored Glycine 0 CA--C 1.527 0.804 0 O-C-N 121.172 -0.955 . . . . 10.0 111.437 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -50.73 -31.49 16.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.591 1.156 . . . . 10.0 112.035 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -36.34 -43.43 0.37 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.482 1.913 . . . . 10.0 112.342 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -44.11 -40.42 4.91 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.967 1.707 . . . . 10.0 112.315 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -99.28 21.36 12.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.106 1.363 . . . . 10.0 111.617 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -143.13 92.98 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 124.804 1.242 . . . . 10.0 107.841 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -78.34 164.15 25.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.937 1.295 . . . . 10.0 111.777 -173.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.11 39.51 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.271 1.028 . . . . 10.0 110.262 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.31 -48.2 79.54 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.686 0.794 . . . . 10.0 111.157 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.1 tp -66.32 -44.2 84.05 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -51.66 -50.26 60.73 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.837 -0.539 . . . . 10.0 109.947 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -57.12 -47.56 80.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.002 1.321 . . . . 10.0 111.133 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.7 -45.76 91.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.114 0.565 . . . . 10.0 110.276 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.46 -45.95 88.45 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.209 0.603 . . . . 10.0 110.551 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.89 -49.65 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.608 -0.682 . . . . 10.0 109.819 171.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.33 -49.79 71.3 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.047 -0.353 . . . . 10.0 110.047 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -52.75 -43.93 66.1 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 118.651 -0.69 . . . . 10.0 112.021 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 72' ' ' ILE . 49.1 mt -55.27 -53.25 58.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 119.272 0.942 . . . . 10.0 109.897 175.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.1 t -54.41 -54.27 23.29 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-O 118.202 -0.904 . . . . 10.0 109.671 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -54.15 -48.18 71.15 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.606 1.094 . . . . 10.0 111.885 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.17 90.89 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.477 0.711 . . . . 10.0 110.782 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.85 -52.03 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.231 0.539 . . . . 10.0 109.893 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -146.38 98.4 4.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.727 2.411 . . . . 10.0 108.714 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -55.36 124.39 16.17 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.949 2.433 . . . . 10.0 111.157 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.1 p -85.59 122.88 73.24 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 117.79 -1.1 . . . . 10.0 109.942 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.79 -40.44 39.16 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.593 2.862 . . . . 10.0 114.697 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -157.62 142.56 12.09 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 117.628 -1.177 . . . . 10.0 108.764 -173.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -43.18 -45.54 9.61 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.467 2.778 . . . . 10.0 113.851 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.97 60.69 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.538 -0.726 . . . . 10.0 111.897 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.09 50.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.031 0.533 . . . . 10.0 111.621 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.0 mt -53.98 -25.21 19.72 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.678 0.672 . . . . 10.0 112.299 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -72.34 -19.24 61.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.97 132.9 55.38 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.996 0.816 . . . . 10.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -48.47 -54.01 15.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -56.03 -45.75 79.04 Favored 'General case' 0 CA--C 1.529 0.154 0 O-C-N 121.693 -0.63 . . . . 10.0 109.739 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 29.0 tpp -61.25 -43.64 98.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.898 -0.501 . . . . 10.0 111.474 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -56.03 -38.0 69.96 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.276 0.63 . . . . 10.0 110.604 173.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.28 -44.09 89.13 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.957 -0.464 . . . . 10.0 111.067 174.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.79 -48.11 82.41 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.994 0.815 . . . . 10.0 110.022 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -52.96 -50.61 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.914 0.886 . . . . 10.0 109.694 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.56 68.63 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.933 -0.479 . . . . 10.0 111.093 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -53.48 -49.95 66.39 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.741 0.417 . . . . 10.0 110.637 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -46.34 88.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.767 0.427 . . . . 10.0 110.847 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -56.12 -52.96 62.44 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.016 0.526 . . . . 10.0 110.473 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -52.42 -56.11 17.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.372 0.669 . . . . 10.0 110.619 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -44.35 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 122.279 -0.263 . . . . 10.0 110.504 -174.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -57.65 -46.78 83.77 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.601 -0.687 . . . . 10.0 110.628 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.87 -50.89 52.72 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.09 -50.23 64.82 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.354 -0.498 . . . . 10.0 110.869 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -43.11 95.7 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 119.374 -0.346 . . . . 10.0 111.228 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.95 -44.95 67.47 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.908 0.883 . . . . 10.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.72 -32.82 41.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.0 m -70.57 -47.87 58.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.893 0.77 . . . . 10.0 111.723 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.97 125.66 25.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.202 1.001 . . . . 10.0 111.253 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.39 19.79 11.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.838 -0.539 . . . . 10.0 111.222 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -168.55 147.23 4.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 126.131 1.773 . . . . 10.0 107.954 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -53.3 -44.71 68.56 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.468 0.707 . . . . 10.0 110.348 173.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -49.85 -52.24 34.05 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.262 0.625 . . . . 10.0 111.284 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.17 -52.58 64.98 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -48.28 -50.38 30.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.651 0.78 . . . . 10.0 112.041 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.02 -55.84 29.93 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.604 -0.685 . . . . 10.0 110.936 172.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -53.94 -59.15 5.01 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -174.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.307 0.3 OUTLIER -67.09 -26.11 66.55 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.491 -0.766 . . . . 10.0 112.424 -177.146 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.63 -51.78 56.95 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 120.066 1.303 . . . . 10.0 109.705 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.49 -48.39 68.98 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.154 -0.341 . . . . 10.0 110.181 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -57.4 -46.94 82.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.094 -0.379 . . . . 10.0 110.953 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -55.47 -52.68 62.83 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.82 -0.55 . . . . 10.0 110.249 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.404 HD11 HD23 ' A' ' 22' ' ' LEU . 96.7 mt -50.67 -53.12 14.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-O 120.817 0.342 . . . . 10.0 110.113 174.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -55.63 19.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 10.0 109.382 -177.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -58.42 -50.05 75.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.485 -0.769 . . . . 10.0 111.591 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 88.7 mt -47.65 -60.55 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.412 HE22 ' CZ ' ' A' ' 83' ' ' ARG . 34.7 mm-40 -51.07 -53.77 30.88 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.794 0.724 . . . . 10.0 111.813 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -57.39 -53.77 54.35 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.81 -43.34 98.32 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.831 0.853 . . . . 10.0 110.922 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.2 tp -77.82 -33.81 52.24 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.819 1.247 . . . . 10.0 112.267 -169.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -38.36 -48.61 1.36 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.556 1.543 . . . . 10.0 112.982 -172.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -48.13 -36.92 14.27 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -114.21 -26.07 8.2 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.186 0.994 . . . . 10.0 112.87 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' CZ ' HE22 ' A' ' 76' ' ' GLN . 72.0 ttt180 -12.55 -65.59 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 128.79 2.836 . . . . 10.0 115.752 -169.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.7 mtm-85 -46.29 -33.3 3.65 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.277 1.431 . . . . 10.0 113.218 -176.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.8 p -52.35 -32.46 38.4 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.344 1.058 . . . . 10.0 113.02 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -74.53 67.33 1.49 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.899 0.88 . . . . 10.0 109.878 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.433 1.493 . . . . 10.0 108.15 177.269 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.534 0.207 . . . . 10.0 111.087 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -50.88 -48.98 60.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.305 1.042 . . . . 10.0 112.009 -172.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.44 -39.18 86.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.176 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -51.25 64.75 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.76 -54.48 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.441 0.696 . . . . 10.0 110.007 175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.12 -47.69 73.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.195 -0.431 . . . . 10.0 111.26 -173.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -56.36 -48.32 77.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.39 0.541 . . . . 10.0 110.223 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.16 -50.76 70.26 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.176 0.99 . . . . 10.0 110.853 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.33 -53.54 56.45 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.502 0.668 . . . . 10.0 110.209 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.35 -43.59 79.26 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.616 1.566 . . . . 10.0 110.948 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 59.3 tp -45.87 -53.06 10.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.923 0.889 . . . . 10.0 110.703 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.48 -52.09 43.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 24.3 mmt -45.81 -43.15 13.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.069 0.548 . . . . 10.0 111.769 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 56.5 p -69.4 -10.64 58.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 28.2 m -50.83 -46.65 60.07 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.732 1.151 . . . . 10.0 111.962 -173.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.43 -45.46 80.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.751 0.705 . . . . 10.0 112.316 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.55 -41.28 98.8 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.691 0.796 . . . . 10.0 110.776 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.12 -47.38 84.86 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.414 0.686 . . . . 10.0 110.509 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.22 -53.94 52.42 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.53 1.532 . . . . 10.0 110.061 -175.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -78.18 46.5 0.61 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.452 0.908 . . . . 10.0 113.452 -174.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.7 -51.08 2.25 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.737 1.161 . . . . 10.0 115.371 169.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -31.86 -48.75 0.16 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.374 2.269 . . . . 10.0 115.976 -169.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -65.35 -24.81 67.34 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.225 0.824 . . . . 10.0 113.225 -175.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.59 64.37 1.66 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.556 0.743 . . . . 10.0 111.122 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.355 -1.307 . . . . 10.0 108.663 178.003 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.013 0 N-CA-C 110.106 -1.198 . . . . 10.0 110.106 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -85.3 -61.34 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 117.694 0.747 . . . . 10.0 110.449 -174.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -74.82 -48.42 25.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.994 0.902 . . . . 10.0 110.361 -170.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -137.77 156.62 47.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.607 1.963 . . . . 10.0 107.64 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.93 -39.6 40.66 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.434 0.561 . . . . 10.0 111.949 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -79.96 -9.96 59.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.773 0.829 . . . . 10.0 113.21 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -49.35 -42.66 42.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.808 0.843 . . . . 10.0 111.975 -173.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.54 -35.79 4.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.223 1.409 . . . . 10.0 113.335 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -70.47 -61.93 1.58 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 122.024 0.916 . . . . 10.0 110.137 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 64' ' ' TYR . 23.2 t -86.24 85.91 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.278 -169.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -71.32 162.33 29.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.747 -1.115 . . . . 10.0 111.767 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -48.26 -42.06 29.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.038 1.335 . . . . 10.0 112.782 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.98 -44.94 96.63 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.97 -0.457 . . . . 10.0 111.086 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.74 -45.68 81.69 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -50.67 -47.14 58.87 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.385 0.539 . . . . 10.0 110.471 173.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -57.98 -50.06 74.69 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.102 0.961 . . . . 10.0 110.923 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.32 -38.08 89.74 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.748 -0.595 . . . . 10.0 110.961 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.37 -48.2 76.39 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.769 -1.207 . . . . 10.0 110.722 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.5 t -51.28 -48.63 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.463 -0.773 . . . . 10.0 109.86 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -53.31 -46.97 69.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.803 -0.617 . . . . 10.0 111.231 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.26 -46.38 83.1 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 118.495 0.589 . . . . 10.0 111.325 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.0 mt -53.44 -52.34 59.76 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.795 0.725 . . . . 10.0 109.699 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.4 t -52.4 -51.65 31.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.25 -0.881 . . . . 10.0 109.354 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -58.33 -48.17 81.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.565 1.075 . . . . 10.0 111.482 -177.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.14 76.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.852 0.861 . . . . 10.0 111.324 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.6 mt -81.36 -41.49 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.337 0.655 . . . . 10.0 111.268 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -155.73 100.18 2.21 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 126.487 1.915 . . . . 10.0 109.543 -168.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -59.87 116.31 3.22 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.739 1.626 . . . . 10.0 109.829 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 m -74.15 126.59 89.02 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-O 118.975 -0.536 . . . . 10.0 110.483 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -51.35 -52.72 8.45 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 124.149 3.232 . . . . 10.0 114.185 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -161.8 146.11 9.8 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 107.545 -1.28 . . . . 10.0 107.545 -171.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -43.47 -46.97 9.58 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.257 2.638 . . . . 10.0 113.617 174.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.8 -35.09 63.5 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.689 -0.632 . . . . 10.0 111.851 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.11 61.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.009 0.524 . . . . 10.0 111.692 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.62 -25.65 27.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.379 0.536 . . . . 10.0 111.81 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -69.56 -21.57 63.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.32 127.27 32.04 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.138 -0.976 . . . . 10.0 109.777 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -43.84 -46.16 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.89 -38.04 75.09 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.152 -0.342 . . . . 10.0 110.511 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.1 tpp -76.83 -47.24 22.03 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 118.948 -0.549 . . . . 10.0 109.658 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -48.69 -45.04 38.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.283 0.947 . . . . 10.0 111.649 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -57.44 -44.23 84.56 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 122.25 -0.281 . . . . 10.0 111.083 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.41 -41.55 80.24 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.897 -0.502 . . . . 10.0 110.664 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.55 -50.36 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.4 -50.99 70.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.019 0.528 . . . . 10.0 110.864 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -51.84 -50.88 60.02 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.013 0.369 . . . . 10.0 111.061 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.36 90.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.059 -0.401 . . . . 10.0 110.544 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -55.21 -52.22 64.07 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.067 0.547 . . . . 10.0 110.395 174.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -54.04 -54.78 34.48 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.257 0.623 . . . . 10.0 110.935 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -44.64 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.128 -0.358 . . . . 10.0 110.321 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.87 -45.47 82.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.405 -0.809 . . . . 10.0 111.294 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.93 -53.0 39.22 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.716 -0.953 . . . . 10.0 110.716 173.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -50.97 -50.46 58.08 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.027 0.531 . . . . 10.0 110.507 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.1 mmt -57.41 -46.86 83.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 119.598 -0.239 . . . . 10.0 111.447 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.53 -48.63 71.73 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.811 0.445 . . . . 10.0 110.585 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.06 -27.21 61.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -73.81 -42.34 61.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.746 0.703 . . . . 10.0 112.252 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.51 115.91 10.23 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -65.17 -21.48 66.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.967 0.907 . . . . 10.0 112.76 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -154.59 150.06 27.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.327 -0.858 . . . . 10.0 109.394 -173.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -47.19 -46.2 23.68 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.634 1.174 . . . . 10.0 111.28 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.31 -47.6 65.87 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.478 0.711 . . . . 10.0 110.832 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -64.33 -48.37 75.85 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.418 ' CE2' HG11 ' A' ' 10' ' ' VAL . 71.7 t80 -50.26 -48.69 54.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.635 . . . . 10.0 111.596 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.35 -52.68 64.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.78 -0.575 . . . . 10.0 110.823 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -51.75 -63.67 1.06 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.724 0.41 . . . . 10.0 111.945 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.341 0.4 OUTLIER -64.06 -28.64 69.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.457 -0.777 . . . . 10.0 112.972 -175.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 mt -65.99 -53.99 31.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.983 1.265 . . . . 10.0 110.913 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.43 74.0 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.24 -45.43 91.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 10.0 110.957 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -55.75 -51.17 68.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.93 0.786 . . . . 10.0 110.127 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.1 mt -52.49 -53.19 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.843 0.354 . . . . 10.0 110.491 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -53.28 41.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.828 1.251 . . . . 10.0 109.501 -177.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -56.79 -52.56 64.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.33 0.652 . . . . 10.0 111.395 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.4 mt -49.85 -53.21 11.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 118.448 0.567 . . . . 10.0 109.855 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -59.79 -49.51 77.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.22 0.464 . . . . 10.0 111.52 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.88 -47.88 76.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.706 0.685 . . . . 10.0 111.926 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -72.41 -55.77 6.52 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.342 0.657 . . . . 10.0 110.707 -177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.4 tp -80.49 -20.25 44.1 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.575 1.55 . . . . 10.0 113.546 -169.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 49.53 35.57 8.64 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.54 1.536 . . . . 10.0 114.252 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.16 67.47 3.99 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.471 -0.768 . . . . 10.0 110.18 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -76.2 84.18 3.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.755 1.222 . . . . 10.0 110.012 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -110.39 -141.59 0.38 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 171.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -52.41 -29.67 25.47 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.487 -0.758 . . . . 10.0 110.46 169.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 p -45.96 -20.92 0.1 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.78 2.432 . . . . 10.0 114.53 170.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -42.94 53.39 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.539 1.063 . . . . 10.0 109.906 169.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 117.032 -1.461 . . . . 10.0 109.084 172.829 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.447 -0.205 . . . . 10.0 110.447 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.06 -44.3 67.35 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 123.373 0.669 . . . . 10.0 111.376 -173.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -54.19 -47.61 71.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.478 0.711 . . . . 10.0 111.158 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -60.67 -59.07 5.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.29 -53.56 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 122.908 0.483 . . . . 10.0 110.151 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -70.58 -46.35 63.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.504 -0.76 . . . . 10.0 111.34 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.64 -46.79 88.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.334 0.97 . . . . 10.0 109.952 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.66 -54.3 39.74 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.793 0.837 . . . . 10.0 110.773 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.85 -52.95 63.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.243 0.544 . . . . 10.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.69 -42.38 88.41 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.509 1.124 . . . . 10.0 111.069 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.88 -53.15 53.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.298 0.639 . . . . 10.0 110.582 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.73 -50.43 72.46 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.7 mtt -51.13 -40.97 59.71 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.987 -0.445 . . . . 10.0 111.487 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -70.24 -9.66 56.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.519 1.128 . . . . 10.0 113.834 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 31.9 m -52.58 -43.77 65.49 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 120.097 1.317 . . . . 10.0 111.24 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.05 -45.61 79.2 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.198 -0.314 . . . . 10.0 111.349 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.04 -49.22 76.87 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -56.16 -46.2 79.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.619 0.368 . . . . 10.0 110.974 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.07 -50.73 72.55 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.666 1.186 . . . . 10.0 110.015 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -62.05 -28.24 69.46 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.506 0.723 . . . . 10.0 111.785 177.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -43.86 -29.99 1.54 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.833 1.682 . . . . 10.0 114.312 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.43 61.47 0.34 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.801 1.24 . . . . 10.0 110.627 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -74.85 71.87 2.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.677 1.191 . . . . 10.0 109.589 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.19 63.13 0.7 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.926 0.891 . . . . 10.0 111.283 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.329 -1.319 . . . . 10.0 110.372 177.801 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.297 0 N-CA-C 112.213 -0.355 . . . . 10.0 112.213 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.9 t 52.58 -71.86 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 126.863 2.065 . . . . 10.0 112.5 -169.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -153.45 -69.43 0.15 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.292 1.037 . . . . 10.0 109.848 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -83.37 11.09 7.28 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.55 -70.98 2.37 Favored Glycine 0 CA--C 1.525 0.68 0 O-C-N 120.142 -1.599 . . . . 10.0 110.045 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -53.97 -30.25 46.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.612 1.165 . . . . 10.0 111.454 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -42.83 -37.02 1.66 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.175 1.39 . . . . 10.0 112.649 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.17 -34.14 68.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.195 0.598 . . . . 10.0 112.095 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -74.95 -50.45 16.69 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.836 -0.801 . . . . 10.0 108.836 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -84.02 85.83 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.827 0.822 . . . . 10.0 110.289 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.0 p -76.15 162.12 28.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.628 1.571 . . . . 10.0 111.542 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -50.4 -38.58 43.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.147 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.41 -47.3 86.67 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.264 0.938 . . . . 10.0 110.492 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.78 -45.64 88.84 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.3 -47.04 62.7 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.493 0.588 . . . . 10.0 110.821 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -61.75 -46.51 89.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.077 1.351 . . . . 10.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.6 -34.4 76.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.539 -0.726 . . . . 10.0 110.983 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.27 -46.36 80.79 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 120.984 -1.072 . . . . 10.0 110.55 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -51.33 -47.6 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.09 -50.82 63.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 119.245 -0.407 . . . . 10.0 110.336 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmpm? -56.89 -40.31 76.0 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.868 0.758 . . . . 10.0 112.162 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.1 mt -54.05 -54.14 43.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 119.274 0.943 . . . . 10.0 109.262 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -53.19 -54.79 15.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 118.672 -0.68 . . . . 10.0 109.875 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -54.27 -49.39 69.68 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.024 0.829 . . . . 10.0 111.893 -177.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.81 0.444 . . . . 10.0 111.446 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.17 -32.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.457 0.703 . . . . 10.0 110.971 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -156.09 91.16 2.68 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.265 1.826 . . . . 10.0 108.816 -168.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.29 99.19 0.29 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.822 2.348 . . . . 10.0 110.651 -174.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.8 m -93.92 133.59 27.45 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 10.0 109.693 -170.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.15 -49.68 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.439 2.759 . . . . 10.0 113.65 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.78 141.97 19.72 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 117.749 -1.119 . . . . 10.0 109.342 -169.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -42.1 -44.03 7.39 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.512 2.808 . . . . 10.0 113.735 170.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -36.98 59.63 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.633 -0.667 . . . . 10.0 112.188 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -25.06 62.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.165 0.586 . . . . 10.0 111.454 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.59 -15.63 29.91 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.69 -14.91 60.37 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.47 147.88 51.8 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 0.933 . . . . 10.0 111.181 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -60.82 -48.7 80.6 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.642 0.777 . . . . 10.0 112.584 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -55.5 -47.26 76.47 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.403 -0.962 . . . . 10.0 108.403 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.9 mmm -64.03 -48.86 74.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.669 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.58 -44.05 65.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.34 0.973 . . . . 10.0 110.551 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -61.67 -49.52 76.19 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.873 -0.517 . . . . 10.0 111.115 175.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.87 -36.92 84.87 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.584 -0.697 . . . . 10.0 111.092 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.83 -50.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 10.0 108.646 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.1 -50.35 67.04 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.318 0.508 . . . . 10.0 110.51 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.08 -51.51 66.15 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.263 0.225 . . . . 10.0 111.054 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.45 83.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.575 0.75 . . . . 10.0 111.2 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -55.3 -54.14 47.31 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.281 0.632 . . . . 10.0 110.235 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -51.8 -56.96 10.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.058 0.543 . . . . 10.0 110.344 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -45.48 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.574 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -56.73 -45.67 81.8 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.419 -0.801 . . . . 10.0 110.896 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.31 -51.06 53.64 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 10.0 110.974 173.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -52.79 -49.88 64.71 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.422 -0.458 . . . . 10.0 110.643 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.8 mmt -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 119.502 -0.285 . . . . 10.0 111.347 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.42 -47.83 66.09 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.879 0.871 . . . . 10.0 110.067 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -69.13 -42.9 75.41 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -67.72 -38.32 83.41 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.43 109.27 6.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -169.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -48.35 -52.2 22.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.749 1.22 . . . . 10.0 112.498 170.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.1 t -121.57 163.11 19.44 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.438 1.495 . . . . 10.0 110.78 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.92 -37.71 69.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 10.0 109.686 169.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -54.93 -52.13 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.386 0.612 . . . . 10.0 109.937 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.81 -50.08 74.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.698 0.799 . . . . 10.0 108.906 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -51.13 -52.31 45.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.783 0.833 . . . . 10.0 111.63 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -55.95 -52.14 65.19 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.978 -0.452 . . . . 10.0 110.653 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -55.63 -62.35 1.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.354 0.3 OUTLIER -64.91 -27.83 69.12 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.765 0.711 . . . . 10.0 112.494 -174.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.04 -54.37 31.31 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.843 1.201 . . . . 10.0 110.712 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.63 74.68 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.084 -0.385 . . . . 10.0 110.649 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.67 -50.49 70.11 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 123.415 0.686 . . . . 10.0 110.328 174.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -54.71 -50.62 67.87 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.71 -0.619 . . . . 10.0 110.412 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.84 -55.02 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -54.7 15.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.629 1.172 . . . . 10.0 109.391 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.27 -48.22 81.14 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.262 0.625 . . . . 10.0 111.552 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.61 -48.77 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 119.923 1.238 . . . . 10.0 110.225 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -56.78 -48.36 78.07 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.826 -0.546 . . . . 10.0 111.043 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -64.95 -51.88 59.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.991 0.516 . . . . 10.0 112.115 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -79.48 -59.72 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 124.963 1.305 . . . . 10.0 111.088 -172.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -80.42 -51.46 8.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.393 1.077 . . . . 10.0 111.283 -169.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -78.98 37.06 0.29 Allowed 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 -170.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -75.98 -39.86 54.99 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.818 1.247 . . . . 10.0 109.131 169.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -74.05 44.27 0.18 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.856 1.663 . . . . 10.0 110.63 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -40.45 -58.72 1.49 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.14 1.776 . . . . 10.0 115.29 -168.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -67.21 -24.08 65.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.6 m -76.55 72.89 3.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.46 0.704 . . . . 10.0 111.196 -172.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -69.41 60.19 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.508 1.523 . . . . 10.0 111.486 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 116.639 -1.648 . . . . 10.0 111.169 -176.851 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -53.92 -47.71 70.93 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.512 0.596 . . . . 10.0 112.357 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -54.7 -45.13 73.94 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.894 0.477 . . . . 10.0 110.304 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.45 67.26 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.23 -0.655 . . . . 10.0 109.23 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.03 -54.48 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.766 0.826 . . . . 10.0 110.155 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -66.59 -51.45 56.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 119.39 -0.338 . . . . 10.0 110.76 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.92 -47.38 77.6 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.416 0.553 . . . . 10.0 110.412 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 42.5 tp -54.73 -50.72 67.67 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.076 0.95 . . . . 10.0 110.564 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.85 -54.71 43.04 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.21 0.529 . . . . 10.0 110.615 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.96 -38.3 90.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.547 1.139 . . . . 10.0 112.306 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.49 -54.78 10.6 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.705 0.684 . . . . 10.0 110.552 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -54.21 47.63 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -177.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 63.2 mtt -47.76 -46.15 29.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.69 0.796 . . . . 10.0 111.436 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 55.4 p -71.27 -9.69 58.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.817 1.043 . . . . 10.0 113.817 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.9 m -49.27 -35.98 19.34 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.287 0.847 . . . . 10.0 113.287 -169.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.78 -48.07 80.73 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.2 0.909 . . . . 10.0 111.918 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -65.33 -40.5 93.78 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 122.808 0.443 . . . . 10.0 110.351 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -54.41 -54.47 40.18 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.482 0.658 . . . . 10.0 109.591 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.5 -51.85 67.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.894 1.678 . . . . 10.0 109.855 -176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -64.85 -35.47 81.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.843 -0.598 . . . . 10.0 111.845 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.84 -67.24 0.02 OUTLIER Glycine 0 CA--C 1.525 0.717 0 CA-C-N 118.678 0.672 . . . . 10.0 113.679 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.97 66.85 5.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 117.756 0.778 . . . . 10.0 112.219 -169.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -62.57 64.53 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.429 2.292 . . . . 10.0 115.06 -171.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.94 64.13 2.39 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.792 -1.192 . . . . 10.0 110.185 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.218 -1.372 . . . . 10.0 110.812 179.057 . . . . . . . . 0 0 . 1 stop_ save_